[2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-(methylcarbamoylamino)-2-oxo-1-phenyl-ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-keto-2-(methylcarbamoylamino)-1-phenyl-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)OC(C2=CC=CC=C2)C(=O)NC(=O)NC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O6/c1-19-13-9-8-12(10-14(13)22(26)27)17(24)28-15(11-6-4-3-5-7-11)16(23)21-18(25)20-2/h3-10,15,19H,1-2H3,(H2,20,21,23,25)