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

Systemtic Name: 3-methyl-N-(4-methyl-2-nitro-phenyl)-1-oxidanylidene-6-propan-2-yl-4H-isochromene-3-carboxamide Openeye Name: 6-isopropyl-3-methyl-N-(4-methyl-2-nitro-phenyl)-1-oxo-isochromane-3-carboxamide CAS Name: 3-methyl-N-(4-methyl-2-nitrophenyl)-1-oxo-6-propan-2-yl-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: 3-methyl-N-(4-methyl-2-nitrophenyl)-1-oxo-6-propan-2-yl-4H-isochromene-3-carboxamide Traditional Name: 6-isopropyl-1-keto-3-methyl-N-(4-methyl-2-nitro-phenyl)isochroman-3-carboxamide Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2(CC3=C(C=CC(=C3)C(C)C)C(=O)O2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2(CC3=C(C=CC(=C3)C(C)C)C(=O)O2)C)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O5/c1-12(2)14-6-7-16-15(10-14)11-21(4,28-19(16)24)20(25)22-17-8-5-13(3)9-18(17)23(26)27/h5-10,12H,11H2,1-4H3,(H,22,25)