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

Systemtic Name: N-[(4-methylphenyl)methyl]-3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide Openeye Name: 3-(4-nitro-1,3-dioxo-isoindolin-2-yl)-N-(p-tolylmethyl)propanamide CAS Name: N-[(4-methylphenyl)methyl]-3-(4-nitro-1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-[(4-methylphenyl)methyl]-3-(4-nitro-1,3-dioxoisoindol-2-yl)propanamide Traditional Name: 3-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-(4-methylbenzyl)propionamide Formula: C19H17N3O5 MolecularWeight: 367.35538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O5/c1-12-5-7-13(8-6-12)11-20-16(23)9-10-21-18(24)14-3-2-4-15(22(26)27)17(14)19(21)25/h2-8H,9-11H2,1H3,(H,20,23)