(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoate CAS Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoic acid (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoate Traditional Name: 4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyric acid (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C22H19ClN4O6 MolecularWeight: 470.86246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1COC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1COC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H19ClN4O6/c1-14-17(21(23)26(24-14)15-6-3-2-4-7-15)13-32-20(28)8-5-11-25-18-10-9-16(27(30)31)12-19(18)33-22(25)29/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3