4-[2-[2,4-bis(oxidanylidene)pentan-3-ylidene]hydrazinyl]-3-nitro-benzoic acid

Systemtic Name: 4-[2-[2,4-bis(oxidanylidene)pentan-3-ylidene]hydrazinyl]-3-nitro-benzoic acid Openeye Name: 4-[2-(1-acetyl-2-oxo-propylidene)hydrazino]-3-nitro-benzoic acid CAS Name: 4-[2-(2,4-dioxopentan-3-ylidene)hydrazinyl]-3-nitrobenzoic acid IUPAC Name: 4-[2-(2,4-dioxopentan-3-ylidene)hydrazinyl]-3-nitrobenzoic acid Traditional Name: 4-[N'-(1-acetyl-2-keto-propylidene)hydrazino]-3-nitro-benzoic acid Formula: C12H11N3O6 MolecularWeight: 293.23224

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=NNC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CC(=O)C(=NNC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C12H11N3O6/c1-6(16)11(7(2)17)14-13-9-4-3-8(12(18)19)5-10(9)15(20)21/h3-5,13H,1-2H3,(H,18,19)