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

Systemtic Name: 3,6-dimethyl-N-(4-methyl-2-nitro-phenyl)-1-oxidanylidene-4H-isochromene-3-carboxamide Openeye Name: 3,6-dimethyl-N-(4-methyl-2-nitro-phenyl)-1-oxo-isochromane-3-carboxamide CAS Name: 3,6-dimethyl-N-(4-methyl-2-nitrophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: 3,6-dimethyl-N-(4-methyl-2-nitrophenyl)-1-oxo-4H-isochromene-3-carboxamide Traditional Name: 1-keto-3,6-dimethyl-N-(4-methyl-2-nitro-phenyl)isochroman-3-carboxamide Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)OC(C2)(C)C(=O)NC3=C(C=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)OC(C2)(C)C(=O)NC3=C(C=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O5/c1-11-4-6-14-13(8-11)10-19(3,26-17(14)22)18(23)20-15-7-5-12(2)9-16(15)21(24)25/h4-9H,10H2,1-3H3,(H,20,23)