N-(4,5-dimethoxy-2-methyl-phenyl)-3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide

Systemtic Name: N-(4,5-dimethoxy-2-methyl-phenyl)-3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide Openeye Name: N-(4,5-dimethoxy-2-methyl-phenyl)-3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanamide CAS Name: N-(4,5-dimethoxy-2-methylphenyl)-3-(4-nitro-1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-(4,5-dimethoxy-2-methylphenyl)-3-(4-nitro-1,3-dioxoisoindol-2-yl)propanamide Traditional Name: 3-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-(4,5-dimethoxy-2-methyl-phenyl)propionamide Formula: C20H19N3O7 MolecularWeight: 413.38076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C20H19N3O7/c1-11-9-15(29-2)16(30-3)10-13(11)21-17(24)7-8-22-19(25)12-5-4-6-14(23(27)28)18(12)20(22)26/h4-6,9-10H,7-8H2,1-3H3,(H,21,24)