ethyl 5-(3-chlorophenyl)-3-(1-oxidanyl-3-oxidanylidene-4H-1,2,4-benzotriazin-2-yl)-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-(3-chlorophenyl)-3-(1-oxidanyl-3-oxidanylidene-4H-1,2,4-benzotriazin-2-yl)-1H-pyrazole-4-carboxylate Openeye Name: ethyl 5-(3-chlorophenyl)-3-(1-hydroxy-3-oxo-4H-1,2,4-benzotriazin-2-yl)-1H-pyrazole-4-carboxylate CAS Name: 5-(3-chlorophenyl)-3-(1-hydroxy-3-oxo-4H-1,2,4-benzotriazin-2-yl)-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(3-chlorophenyl)-3-(1-hydroxy-3-oxo-4H-1,2,4-benzotriazin-2-yl)-1H-pyrazole-4-carboxylate Traditional Name: 5-(3-chlorophenyl)-3-(1-hydroxy-3-keto-4H-1,2,4-benzotriazin-2-yl)-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C19H16ClN5O4 MolecularWeight: 413.81444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN=C1N2C(=O)NC3=CC=CC=C3N2O)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCOC(=O)C1=C(NN=C1N2C(=O)NC3=CC=CC=C3N2O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C19H16ClN5O4/c1-2-29-18(26)15-16(11-6-5-7-12(20)10-11)22-23-17(15)24-19(27)21-13-8-3-4-9-14(13)25(24)28/h3-10,28H,2H2,1H3,(H,21,27)(H,22,23)