ethyl 1-[3-[2-(6-chloranyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]phenyl]-5-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[3-[2-(6-chloranyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]phenyl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[3-[[2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[3-[[2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-1-oxoethyl]amino]phenyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[[2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]phenyl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[3-[[2-(6-chloro-3-keto-1,4-benzoxazin-4-yl)acetyl]amino]phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C23H21ClN4O5 MolecularWeight: 468.88964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)NC(=O)CN3C(=O)COC4=C3C=C(C=C4)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)NC(=O)CN3C(=O)COC4=C3C=C(C=C4)Cl)C

InChI

InChI=1S/C23H21ClN4O5/c1-3-32-23(31)18-11-25-28(14(18)2)17-6-4-5-16(10-17)26-21(29)12-27-19-9-15(24)7-8-20(19)33-13-22(27)30/h4-11H,3,12-13H2,1-2H3,(H,26,29)