[2-oxidanylidene-2-[(3-oxidanylidene-1-phenyl-butan-2-yl)amino]ethyl] 4-(cyclopropylamino)-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[(3-oxidanylidene-1-phenyl-butan-2-yl)amino]ethyl] 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: [2-[(1-benzyl-2-oxo-propyl)amino]-2-oxo-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid [2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid [2-[(1-benzyl-2-keto-propyl)amino]-2-keto-ethyl] ester Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C(CC1=CC=CC=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O6/c1-14(26)19(11-15-5-3-2-4-6-15)24-21(27)13-31-22(28)16-7-10-18(23-17-8-9-17)20(12-16)25(29)30/h2-7,10,12,17,19,23H,8-9,11,13H2,1H3,(H,24,27)