[2-(4-methoxy-3-nitro-phenyl)-2-oxidanylidene-ethyl] 5-oxidanylidene-5-phenylazanyl-pentanoate

Systemtic Name: [2-(4-methoxy-3-nitro-phenyl)-2-oxidanylidene-ethyl] 5-oxidanylidene-5-phenylazanyl-pentanoate Openeye Name: [2-(4-methoxy-3-nitro-phenyl)-2-oxo-ethyl] 5-anilino-5-oxo-pentanoate CAS Name: 5-anilino-5-oxopentanoic acid [2-(4-methoxy-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxy-3-nitrophenyl)-2-oxoethyl] 5-anilino-5-oxopentanoate Traditional Name: 5-anilino-5-keto-valeric acid [2-keto-2-(4-methoxy-3-nitro-phenyl)ethyl] ester Formula: C20H20N2O7 MolecularWeight: 400.382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)CCCC(=O)NC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)CCCC(=O)NC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O7/c1-28-18-11-10-14(12-16(18)22(26)27)17(23)13-29-20(25)9-5-8-19(24)21-15-6-3-2-4-7-15/h2-4,6-7,10-12H,5,8-9,13H2,1H3,(H,21,24)