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

Systemtic Name: N-(2,4-dimethoxyphenyl)-3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide Openeye Name: N-(2,4-dimethoxyphenyl)-3-(5-nitro-1,3-dioxo-isoindolin-2-yl)propanamide CAS Name: N-(2,4-dimethoxyphenyl)-3-(5-nitro-1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-(2,4-dimethoxyphenyl)-3-(5-nitro-1,3-dioxoisoindol-2-yl)propanamide Traditional Name: 3-(1,3-diketo-5-nitro-isoindolin-2-yl)-N-(2,4-dimethoxyphenyl)propionamide Formula: C19H17N3O7 MolecularWeight: 399.35418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H17N3O7/c1-28-12-4-6-15(16(10-12)29-2)20-17(23)7-8-21-18(24)13-5-3-11(22(26)27)9-14(13)19(21)25/h3-6,9-10H,7-8H2,1-2H3,(H,20,23)