[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-methylpentanoate

Systemtic Name: [2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-methylpentanoate Openeye Name: [2-(4,5-dimethyl-2-nitro-anilino)-2-oxo-ethyl] 4-methylpentanoate CAS Name: 4-methylpentanoic acid [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 4-methylpentanoate Traditional Name: 4-methylvaleric acid [2-(4,5-dimethyl-2-nitro-anilino)-2-keto-ethyl] ester Formula: C16H22N2O5 MolecularWeight: 322.35628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)CCC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)CCC(C)C

InChI

InChI=1S/C16H22N2O5/c1-10(2)5-6-16(20)23-9-15(19)17-13-7-11(3)12(4)8-14(13)18(21)22/h7-8,10H,5-6,9H2,1-4H3,(H,17,19)