3-[(4-methylphenyl)amino]-4-nitro-isoindol-1-one

Systemtic Name: 3-[(4-methylphenyl)amino]-4-nitro-isoindol-1-one Openeye Name: 3-(4-methylanilino)-4-nitro-isoindol-1-one CAS Name: 3-(4-methylanilino)-4-nitro-1-isoindolone IUPAC Name: 3-(4-methylanilino)-4-nitroisoindol-1-one Traditional Name: 4-nitro-3-(p-toluidino)isoindol-1-one Formula: C15H11N3O3 MolecularWeight: 281.26614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=O)C3=C2C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=O)C3=C2C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H11N3O3/c1-9-5-7-10(8-6-9)16-14-13-11(15(19)17-14)3-2-4-12(13)18(20)21/h2-8H,1H3,(H,16,17,19)