[2-oxidanylidene-2-[[2-oxidanylidene-2-(propylamino)ethyl]amino]ethyl] 3-nitro-4-phenylazanyl-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CNC(=O)COC(=O)C1=CC(=C(C=C1)NC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)CNC(=O)COC(=O)C1=CC(=C(C=C1)NC2=CC=CC=C2)[N+](=O)[O-]

InChI

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