[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 5-oxidanylidene-5-[2-(phenylcarbonyl)hydrazinyl]pentanoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 5-oxidanylidene-5-[2-(phenylcarbonyl)hydrazinyl]pentanoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 5-(2-benzoylhydrazino)-5-oxo-pentanoate CAS Name: 5-(benzoylhydrazo)-5-oxopentanoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 5-(2-benzoylhydrazinyl)-5-oxopentanoate Traditional Name: 5-(N'-benzoylhydrazino)-5-keto-valeric acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C21H21N3O7 MolecularWeight: 427.40734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O7/c1-14-10-11-16(12-17(14)24(29)30)18(25)13-31-20(27)9-5-8-19(26)22-23-21(28)15-6-3-2-4-7-15/h2-4,6-7,10-12H,5,8-9,13H2,1H3,(H,22,26)(H,23,28)