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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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