[2-[2-(3-nitrophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 3-methyl-2-phenyl-pentanoate

Systemtic Name: [2-[2-(3-nitrophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 3-methyl-2-phenyl-pentanoate Openeye Name: [2-[2-(3-nitrobenzoyl)hydrazino]-2-oxo-ethyl] 3-methyl-2-phenyl-pentanoate CAS Name: 3-methyl-2-phenylpentanoic acid [2-[[(3-nitrophenyl)-oxomethyl]hydrazo]-2-oxoethyl] ester IUPAC Name: [2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 3-methyl-2-phenylpentanoate Traditional Name: 3-methyl-2-phenyl-valeric acid [2-keto-2-[N'-(3-nitrobenzoyl)hydrazino]ethyl] ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O6/c1-3-14(2)19(15-8-5-4-6-9-15)21(27)30-13-18(25)22-23-20(26)16-10-7-11-17(12-16)24(28)29/h4-12,14,19H,3,13H2,1-2H3,(H,22,25)(H,23,26)