3-[3,5-dimethyl-4-[(3-nitrophenyl)diazenyl]pyrazol-1-yl]benzoic acid

Systemtic Name: 3-[3,5-dimethyl-4-[(3-nitrophenyl)diazenyl]pyrazol-1-yl]benzoic acid Openeye Name: 3-[3,5-dimethyl-4-(3-nitrophenyl)azo-pyrazol-1-yl]benzoic acid CAS Name: 3-[3,5-dimethyl-4-(3-nitrophenyl)azo-1-pyrazolyl]benzoic acid IUPAC Name: 3-[3,5-dimethyl-4-[(3-nitrophenyl)diazenyl]pyrazol-1-yl]benzoic acid Traditional Name: 3-[3,5-dimethyl-4-(3-nitrophenyl)azo-pyrazol-1-yl]benzoic acid Formula: C18H15N5O4 MolecularWeight: 365.3428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC(=C2)C(=O)O)C)N=NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC(=C2)C(=O)O)C)N=NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O4/c1-11-17(20-19-14-6-4-8-16(10-14)23(26)27)12(2)22(21-11)15-7-3-5-13(9-15)18(24)25/h3-10H,1-2H3,(H,24,25)