[2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-(benzylcarbamoylamino)-2-oxo-ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-oxo-2-[[oxo-[(phenylmethyl)amino]methyl]amino]ethyl] ester IUPAC Name: [2-(benzylcarbamoylamino)-2-oxoethyl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-(benzylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H18N4O6 MolecularWeight: 386.35872

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O6/c1-19-14-8-7-13(9-15(14)22(26)27)17(24)28-11-16(23)21-18(25)20-10-12-5-3-2-4-6-12/h2-9,19H,10-11H2,1H3,(H2,20,21,23,25)