4-[2-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)hydrazinyl]-3-nitro-benzoic acid

Systemtic Name: 4-[2-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)hydrazinyl]-3-nitro-benzoic acid Openeye Name: 4-[2-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)hydrazino]-3-nitro-benzoic acid CAS Name: 4-[2-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)hydrazinyl]-3-nitrobenzoic acid IUPAC Name: 4-[2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)hydrazinyl]-3-nitrobenzoic acid Traditional Name: 4-[N'-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)hydrazino]-3-nitro-benzoic acid Formula: C17H13N5O5 MolecularWeight: 367.31562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NNC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=O)C1=NNC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C17H13N5O5/c1-10-15(16(23)21(20-10)12-5-3-2-4-6-12)19-18-13-8-7-11(17(24)25)9-14(13)22(26)27/h2-9,18H,1H3,(H,24,25)