4-[(2-chloranyl-4-nitro-phenyl)diazenyl]-5-methyl-2-pyridin-4-ylcarbonyl-4H-pyrazol-3-one

Systemtic Name: 4-[(2-chloranyl-4-nitro-phenyl)diazenyl]-5-methyl-2-pyridin-4-ylcarbonyl-4H-pyrazol-3-one Openeye Name: 4-(2-chloro-4-nitro-phenyl)azo-5-methyl-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one CAS Name: 4-(2-chloro-4-nitrophenyl)azo-5-methyl-2-[oxo(pyridin-4-yl)methyl]-4H-pyrazol-3-one IUPAC Name: 4-[(2-chloro-4-nitrophenyl)diazenyl]-5-methyl-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one Traditional Name: 4-(2-chloro-4-nitro-phenyl)azo-2-isonicotinoyl-5-methyl-2-pyrazolin-3-one Formula: C16H11ClN6O4 MolecularWeight: 386.74934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)C3=CC=NC=C3

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)C3=CC=NC=C3

InChI

InChI=1S/C16H11ClN6O4/c1-9-14(20-19-13-3-2-11(23(26)27)8-12(13)17)16(25)22(21-9)15(24)10-4-6-18-7-5-10/h2-8,14H,1H3