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

Systemtic Name: N-(4-bromanyl-2,5-dimethoxy-phenyl)-3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide Openeye Name: N-(4-bromo-2,5-dimethoxy-phenyl)-3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanamide CAS Name: N-(4-bromo-2,5-dimethoxyphenyl)-3-(4-nitro-1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-(4-bromo-2,5-dimethoxyphenyl)-3-(4-nitro-1,3-dioxoisoindol-2-yl)propanamide Traditional Name: N-(4-bromo-2,5-dimethoxy-phenyl)-3-(1,3-diketo-4-nitro-isoindolin-2-yl)propionamide Formula: C19H16BrN3O7 MolecularWeight: 478.25024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])OC)Br

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])OC)Br

InChI

InChI=1S/C19H16BrN3O7/c1-29-14-9-12(15(30-2)8-11(14)20)21-16(24)6-7-22-18(25)10-4-3-5-13(23(27)28)17(10)19(22)26/h3-5,8-9H,6-7H2,1-2H3,(H,21,24)