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

Systemtic Name: methyl 2-chloranyl-5-[3,5-dimethyl-4-[(3-nitrophenyl)diazenyl]pyrazol-1-yl]benzoate Openeye Name: methyl 2-chloro-5-[3,5-dimethyl-4-(3-nitrophenyl)azo-pyrazol-1-yl]benzoate CAS Name: 2-chloro-5-[3,5-dimethyl-4-(3-nitrophenyl)azo-1-pyrazolyl]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-[3,5-dimethyl-4-[(3-nitrophenyl)diazenyl]pyrazol-1-yl]benzoate Traditional Name: 2-chloro-5-[3,5-dimethyl-4-(3-nitrophenyl)azo-pyrazol-1-yl]benzoic acid methyl ester Formula: C19H16ClN5O4 MolecularWeight: 413.81444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClN5O4/c1-11-18(22-21-13-5-4-6-15(9-13)25(27)28)12(2)24(23-11)14-7-8-17(20)16(10-14)19(26)29-3/h4-10H,1-3H3