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

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 4-ethoxy-3-nitro-benzoate Openeye Name: [2-(benzylcarbamoylamino)-2-oxo-ethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [2-oxo-2-[[oxo-[(phenylmethyl)amino]methyl]amino]ethyl] ester IUPAC Name: [2-(benzylcarbamoylamino)-2-oxoethyl] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [2-(benzylcarbamoylamino)-2-keto-ethyl] ester Formula: C19H19N3O7 MolecularWeight: 401.37006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O7/c1-2-28-16-9-8-14(10-15(16)22(26)27)18(24)29-12-17(23)21-19(25)20-11-13-6-4-3-5-7-13/h3-10H,2,11-12H2,1H3,(H2,20,21,23,25)