3-[[(2-carboxyphenyl)carbonylamino]methyl]-4-(methoxycarbonylamino)benzoic acid

Systemtic Name: 3-[[(2-carboxyphenyl)carbonylamino]methyl]-4-(methoxycarbonylamino)benzoic acid Openeye Name: 3-[[(2-carboxybenzoyl)amino]methyl]-4-(methoxycarbonylamino)benzoic acid CAS Name: 3-[[[(2-carboxyphenyl)-oxomethyl]amino]methyl]-4-(methoxycarbonylamino)benzoic acid IUPAC Name: 3-[[(2-carboxybenzoyl)amino]methyl]-4-(methoxycarbonylamino)benzoic acid Traditional Name: 4-(carbomethoxyamino)-3-[[(2-carboxybenzoyl)amino]methyl]benzoic acid Formula: C18H16N2O7 MolecularWeight: 372.32884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=C(C=C(C=C1)C(=O)O)CNC(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

COC(=O)NC1=C(C=C(C=C1)C(=O)O)CNC(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C18H16N2O7/c1-27-18(26)20-14-7-6-10(16(22)23)8-11(14)9-19-15(21)12-4-2-3-5-13(12)17(24)25/h2-8H,9H2,1H3,(H,19,21)(H,20,26)(H,22,23)(H,24,25)