N-(4-methoxy-2-nitro-phenyl)-3-methyl-1-oxidanylidene-6-propan-2-yl-4H-isochromene-3-carboxamide

Systemtic Name: N-(4-methoxy-2-nitro-phenyl)-3-methyl-1-oxidanylidene-6-propan-2-yl-4H-isochromene-3-carboxamide Openeye Name: 6-isopropyl-N-(4-methoxy-2-nitro-phenyl)-3-methyl-1-oxo-isochromane-3-carboxamide CAS Name: N-(4-methoxy-2-nitrophenyl)-3-methyl-1-oxo-6-propan-2-yl-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-(4-methoxy-2-nitrophenyl)-3-methyl-1-oxo-6-propan-2-yl-4H-isochromene-3-carboxamide Traditional Name: 6-isopropyl-1-keto-N-(4-methoxy-2-nitro-phenyl)-3-methyl-isochroman-3-carboxamide Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H22N2O6/c1-12(2)13-5-7-16-14(9-13)11-21(3,29-19(16)24)20(25)22-17-8-6-15(28-4)10-18(17)23(26)27/h5-10,12H,11H2,1-4H3,(H,22,25)