diazanium 2-[2-[(2-carboxylatophenyl)carbonylamino]ethylcarbamoyl]benzoate

Systemtic Name: diazanium 2-[2-[(2-carboxylatophenyl)carbonylamino]ethylcarbamoyl]benzoate Openeye Name: diammonium 2-[2-[(2-carboxylatobenzoyl)amino]ethylcarbamoyl]benzoate CAS Name: diammonium 2-[[2-[[(2-carboxylatophenyl)-oxomethyl]amino]ethylamino]-oxomethyl]benzoate IUPAC Name: diazanium 2-[2-[(2-carboxylatobenzoyl)amino]ethylcarbamoyl]benzoate Traditional Name: diammonium 2-[2-[(2-carboxylatobenzoyl)amino]ethylcarbamoyl]benzoate Formula: C18H22N4O6 MolecularWeight: 390.39048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCCNC(=O)C2=CC=CC=C2C(=O)[O-])C(=O)[O-].[NH4+].[NH4+]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCCNC(=O)C2=CC=CC=C2C(=O)[O-])C(=O)[O-].[NH4+].[NH4+]

InChI

InChI=1S/C18H16N2O6.2H3N/c21-15(11-5-1-3-7-13(11)17(23)24)19-9-10-20-16(22)12-6-2-4-8-14(12)18(25)26;;/h1-8H,9-10H2,(H,19,21)(H,20,22)(H,23,24)(H,25,26);2*1H3