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

Systemtic Name: 2-chloranyl-5-[3,5-dimethyl-4-[(3-nitrophenyl)diazenyl]pyrazol-1-yl]benzoic acid Openeye Name: 2-chloro-5-[3,5-dimethyl-4-(3-nitrophenyl)azo-pyrazol-1-yl]benzoic acid CAS Name: 2-chloro-5-[3,5-dimethyl-4-(3-nitrophenyl)azo-1-pyrazolyl]benzoic acid IUPAC Name: 2-chloro-5-[3,5-dimethyl-4-[(3-nitrophenyl)diazenyl]pyrazol-1-yl]benzoic acid Traditional Name: 2-chloro-5-[3,5-dimethyl-4-(3-nitrophenyl)azo-pyrazol-1-yl]benzoic acid Formula: C18H14ClN5O4 MolecularWeight: 399.78786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClN5O4/c1-10-17(21-20-12-4-3-5-14(8-12)24(27)28)11(2)23(22-10)13-6-7-16(19)15(9-13)18(25)26/h3-9H,1-2H3,(H,25,26)