[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-oxidanylidene-4-[2-(phenylcarbonyl)hydrazinyl]butanoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-oxidanylidene-4-[2-(phenylcarbonyl)hydrazinyl]butanoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 4-(2-benzoylhydrazino)-4-oxo-butanoate CAS Name: 4-(benzoylhydrazo)-4-oxobutanoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 4-(2-benzoylhydrazinyl)-4-oxobutanoate Traditional Name: 4-(N'-benzoylhydrazino)-4-keto-butyric acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C20H19N3O7 MolecularWeight: 413.38076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)CCC(=O)NNC(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)CCC(=O)NNC(=O)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O7/c1-13-7-8-15(11-16(13)23(28)29)17(24)12-30-19(26)10-9-18(25)21-22-20(27)14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,21,25)(H,22,27)