[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 5-[2-(2-chlorophenyl)carbonylhydrazinyl]-5-oxidanylidene-pentanoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 5-[2-(2-chlorophenyl)carbonylhydrazinyl]-5-oxidanylidene-pentanoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 5-[2-(2-chlorobenzoyl)hydrazino]-5-oxo-pentanoate CAS Name: 5-[[(2-chlorophenyl)-oxomethyl]hydrazo]-5-oxopentanoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 5-[2-(2-chlorobenzoyl)hydrazinyl]-5-oxopentanoate Traditional Name: 5-[N'-(2-chlorobenzoyl)hydrazino]-5-keto-valeric acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C21H20ClN3O7 MolecularWeight: 461.8524

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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=C2Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)CCCC(=O)NNC(=O)C2=CC=CC=C2Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H20ClN3O7/c1-13-9-10-14(11-17(13)25(30)31)18(26)12-32-20(28)8-4-7-19(27)23-24-21(29)15-5-2-3-6-16(15)22/h2-3,5-6,9-11H,4,7-8,12H2,1H3,(H,23,27)(H,24,29)