[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] pentanoate

Systemtic Name: [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] pentanoate Openeye Name: [2-(4-methyl-2-nitro-anilino)-2-oxo-1-phenyl-ethyl] pentanoate CAS Name: pentanoic acid [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] pentanoate Traditional Name: valeric acid [2-keto-2-(4-methyl-2-nitro-anilino)-1-phenyl-ethyl] ester Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5/c1-3-4-10-18(23)27-19(15-8-6-5-7-9-15)20(24)21-16-12-11-14(2)13-17(16)22(25)26/h5-9,11-13,19H,3-4,10H2,1-2H3,(H,21,24)