Methyl 2-({4-[(Diaminomethylene)Amino]Benzoyl}Oxy)Benzoate

Molecule SVG Image

Properties Simple | Detailed

Formula C16H15N3O4
IUPAC Name methyl 2-(4-guanidinobenzoyl)oxybenzoate
Molecular Mass 313.308 g·mol−1
Heat of Formation -416.4 ± 16.7 kJ·mol−1
Dipole Moment 4.17 ± 1.08 D
Volume 354.53 Å 3
Surface Area 327.77 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -0.59 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-carbomethoxyphenyl 4-guanidinobenzoate
  • 2-(4-guanidinobenzoyl)oxybenzoic acid methyl ester
  • 2-[(4-guanidinophenyl)-oxomethoxy]benzoic acid methyl ester
  • 4-((aminoiminomethyl)amino)benzoic acid 2-(methoxycarbonyl)phenyl ester
  • benzoic acid, 4-((aminoiminomethyl)amino)-, 2-(methoxycarbonyl)phenyl ester
  • methyl 2-[4-(diaminomethylideneamino)benzoyl]oxybenzoate
  • methyl 2-[4-(diaminomethylideneamino)phenyl]carbonyloxybenzoate
  • salicylic acid, methyl ester, ester with p-guanidinobenzoic acid
CAS Number(s)
  • 89022-11-7
InChIKey QFHVTOHRBHBYIA-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N