3-(4-chlorophenyl)-N-(2-methyl-4-nitro-phenyl)-1-oxidanylidene-3,4-dihydroisochromene-6-carboxamide

Systemtic Name: 3-(4-chlorophenyl)-N-(2-methyl-4-nitro-phenyl)-1-oxidanylidene-3,4-dihydroisochromene-6-carboxamide Openeye Name: 3-(4-chlorophenyl)-N-(2-methyl-4-nitro-phenyl)-1-oxo-isochromane-6-carboxamide CAS Name: 3-(4-chlorophenyl)-N-(2-methyl-4-nitrophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carboxamide IUPAC Name: 3-(4-chlorophenyl)-N-(2-methyl-4-nitrophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide Traditional Name: 3-(4-chlorophenyl)-1-keto-N-(2-methyl-4-nitro-phenyl)isochroman-6-carboxamide Formula: C23H17ClN2O5 MolecularWeight: 436.84448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2=CC3=C(C=C2)C(=O)OC(C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2=CC3=C(C=C2)C(=O)OC(C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H17ClN2O5/c1-13-10-18(26(29)30)7-9-20(13)25-22(27)15-4-8-19-16(11-15)12-21(31-23(19)28)14-2-5-17(24)6-3-14/h2-11,21H,12H2,1H3,(H,25,27)