O1-ethyl O4-[(1R)-2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] (E)-but-2-enedioate

Systemtic Name: O1-ethyl O4-[(1R)-2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] (E)-but-2-enedioate Openeye Name: O1-ethyl O4-[(1R)-2-(4-methyl-2-nitro-anilino)-2-oxo-1-phenyl-ethyl] (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-ethyl ester O4-[(1R)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: 1-O-ethyl 4-O-[(1R)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O1-ethyl ester O4-[(1R)-2-keto-2-(4-methyl-2-nitro-anilino)-1-phenyl-ethyl] ester Formula: C21H20N2O7 MolecularWeight: 412.3927

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OC(C1=CC=CC=C1)C(=O)NC2=C(C=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)/C=C/C(=O)O[C@H](C1=CC=CC=C1)C(=O)NC2=C(C=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O7/c1-3-29-18(24)11-12-19(25)30-20(15-7-5-4-6-8-15)21(26)22-16-10-9-14(2)13-17(16)23(27)28/h4-13,20H,3H2,1-2H3,(H,22,26)/b12-11+/t20-/m1/s1