[2-[2-(4-nitrophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [2-[2-(4-nitrophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-[2-(4-nitrobenzoyl)hydrazino]-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-[[(4-nitrophenyl)-oxomethyl]hydrazo]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-keto-2-[N'-(4-nitrobenzoyl)hydrazino]ethyl] ester Formula: C17H14N4O8 MolecularWeight: 402.31506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N4O8/c1-10-8-12(4-7-14(10)21(27)28)17(24)29-9-15(22)18-19-16(23)11-2-5-13(6-3-11)20(25)26/h2-8H,9H2,1H3,(H,18,22)(H,19,23)