[2-[2-(3-nitrophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 4-(4-chloranyl-3-methyl-phenoxy)butanoate

Systemtic Name: [2-[2-(3-nitrophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 4-(4-chloranyl-3-methyl-phenoxy)butanoate Openeye Name: [2-[2-(3-nitrobenzoyl)hydrazino]-2-oxo-ethyl] 4-(4-chloro-3-methyl-phenoxy)butanoate CAS Name: 4-(4-chloro-3-methylphenoxy)butanoic acid [2-[[(3-nitrophenyl)-oxomethyl]hydrazo]-2-oxoethyl] ester IUPAC Name: [2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 4-(4-chloro-3-methylphenoxy)butanoate Traditional Name: 4-(4-chloro-3-methyl-phenoxy)butyric acid [2-keto-2-[N'-(3-nitrobenzoyl)hydrazino]ethyl] ester Formula: C20H20ClN3O7 MolecularWeight: 449.8417

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCC(=O)OCC(=O)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCC(=O)OCC(=O)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H20ClN3O7/c1-13-10-16(7-8-17(13)21)30-9-3-6-19(26)31-12-18(25)22-23-20(27)14-4-2-5-15(11-14)24(28)29/h2,4-5,7-8,10-11H,3,6,9,12H2,1H3,(H,22,25)(H,23,27)