[2-(aminocarbonylamino)-2-oxidanylidene-ethyl] 3-nitro-4-[(phenylmethyl)amino]benzoate

Systemtic Name: [2-(aminocarbonylamino)-2-oxidanylidene-ethyl] 3-nitro-4-[(phenylmethyl)amino]benzoate Openeye Name: (2-oxo-2-ureido-ethyl) 4-(benzylamino)-3-nitro-benzoate CAS Name: 3-nitro-4-[(phenylmethyl)amino]benzoic acid [2-(carbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(carbamoylamino)-2-oxoethyl] 4-(benzylamino)-3-nitrobenzoate Traditional Name: 4-(benzylamino)-3-nitro-benzoic acid (2-keto-2-ureido-ethyl) ester Formula: C17H16N4O6 MolecularWeight: 372.33214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)C(=O)OCC(=O)NC(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)C(=O)OCC(=O)NC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O6/c18-17(24)20-15(22)10-27-16(23)12-6-7-13(14(8-12)21(25)26)19-9-11-4-2-1-3-5-11/h1-8,19H,9-10H2,(H3,18,20,22,24)