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

Systemtic Name: N-(4-methoxy-2-nitro-phenyl)-1-oxidanylidene-6-propan-2-yl-3,4-dihydroisochromene-3-carboxamide Openeye Name: 6-isopropyl-N-(4-methoxy-2-nitro-phenyl)-1-oxo-isochromane-3-carboxamide CAS Name: N-(4-methoxy-2-nitrophenyl)-1-oxo-6-propan-2-yl-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-(4-methoxy-2-nitrophenyl)-1-oxo-6-propan-2-yl-3,4-dihydroisochromene-3-carboxamide Traditional Name: 6-isopropyl-1-keto-N-(4-methoxy-2-nitro-phenyl)isochroman-3-carboxamide Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)C(=O)OC(C2)C(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)C(=O)OC(C2)C(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O6/c1-11(2)12-4-6-15-13(8-12)9-18(28-20(15)24)19(23)21-16-7-5-14(27-3)10-17(16)22(25)26/h4-8,10-11,18H,9H2,1-3H3,(H,21,23)