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

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 3-nitro-4-[(phenylmethyl)amino]benzoate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 4-(benzylamino)-3-nitro-benzoate CAS Name: 3-nitro-4-[(phenylmethyl)amino]benzoic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 4-(benzylamino)-3-nitrobenzoate Traditional Name: 4-(benzylamino)-3-nitro-benzoic acid [2-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C20H22N4O6 MolecularWeight: 414.41188

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)COC(=O)C1=CC(=C(C=C1)NCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)NC(=O)COC(=O)C1=CC(=C(C=C1)NCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O6/c1-2-10-21-20(27)23-18(25)13-30-19(26)15-8-9-16(17(11-15)24(28)29)22-12-14-6-4-3-5-7-14/h3-9,11,22H,2,10,12-13H2,1H3,(H2,21,23,25,27)