4-[2-(3-methyl-4-nitro-phenyl)carbonylhydrazinyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-(3-methyl-4-nitro-phenyl)carbonylhydrazinyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-(3-methyl-4-nitro-benzoyl)hydrazino]-4-oxo-butanoic acid CAS Name: 4-[[(3-methyl-4-nitrophenyl)-oxomethyl]hydrazo]-4-oxobutanoic acid IUPAC Name: 4-[2-(3-methyl-4-nitrobenzoyl)hydrazinyl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[N'-(3-methyl-4-nitro-benzoyl)hydrazino]butyric acid Formula: C12H13N3O6 MolecularWeight: 295.24812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O6/c1-7-6-8(2-3-9(7)15(20)21)12(19)14-13-10(16)4-5-11(17)18/h2-3,6H,4-5H2,1H3,(H,13,16)(H,14,19)(H,17,18)