4-[2-(1,3-dicyanopropan-2-ylidene)hydrazinyl]-3-nitro-benzoic acid

Systemtic Name: 4-[2-(1,3-dicyanopropan-2-ylidene)hydrazinyl]-3-nitro-benzoic acid Openeye Name: 4-[2-[2-cyano-1-(cyanomethyl)ethylidene]hydrazino]-3-nitro-benzoic acid CAS Name: 4-[2-(1,3-dicyanopropan-2-ylidene)hydrazinyl]-3-nitrobenzoic acid IUPAC Name: 4-[2-(1,3-dicyanopropan-2-ylidene)hydrazinyl]-3-nitrobenzoic acid Traditional Name: 4-[N'-[2-cyano-1-(cyanomethyl)ethylidene]hydrazino]-3-nitro-benzoic acid Formula: C12H9N5O4 MolecularWeight: 287.23096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])NN=C(CC#N)CC#N

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])NN=C(CC#N)CC#N

InChI

InChI=1S/C12H9N5O4/c13-5-3-9(4-6-14)15-16-10-2-1-8(12(18)19)7-11(10)17(20)21/h1-2,7,16H,3-4H2,(H,18,19)