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

Systemtic Name: N-(2-methyl-4-nitro-phenyl)-1-oxidanylidene-6-propan-2-yl-3,4-dihydroisochromene-3-carboxamide Openeye Name: 6-isopropyl-N-(2-methyl-4-nitro-phenyl)-1-oxo-isochromane-3-carboxamide CAS Name: N-(2-methyl-4-nitrophenyl)-1-oxo-6-propan-2-yl-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-(2-methyl-4-nitrophenyl)-1-oxo-6-propan-2-yl-3,4-dihydroisochromene-3-carboxamide Traditional Name: 6-isopropyl-1-keto-N-(2-methyl-4-nitro-phenyl)isochroman-3-carboxamide Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2CC3=C(C=CC(=C3)C(C)C)C(=O)O2

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2CC3=C(C=CC(=C3)C(C)C)C(=O)O2

InChI

InChI=1S/C20H20N2O5/c1-11(2)13-4-6-16-14(9-13)10-18(27-20(16)24)19(23)21-17-7-5-15(22(25)26)8-12(17)3/h4-9,11,18H,10H2,1-3H3,(H,21,23)