[(1R)-2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-(ethylamino)-3-nitro-benzoate

Systemtic Name: [(1R)-2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-(ethylamino)-3-nitro-benzoate Openeye Name: [(1R)-2-(3-acetylanilino)-2-oxo-1-phenyl-ethyl] 4-(ethylamino)-3-nitro-benzoate CAS Name: 4-(ethylamino)-3-nitrobenzoic acid [(1R)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 4-(ethylamino)-3-nitrobenzoate Traditional Name: 4-(ethylamino)-3-nitro-benzoic acid [(1R)-2-(3-acetylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C25H23N3O6 MolecularWeight: 461.46662

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=O)O[C@H](C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C25H23N3O6/c1-3-26-21-13-12-19(15-22(21)28(32)33)25(31)34-23(17-8-5-4-6-9-17)24(30)27-20-11-7-10-18(14-20)16(2)29/h4-15,23,26H,3H2,1-2H3,(H,27,30)/t23-/m1/s1