3-[(2-methylphenyl)amino]-4-nitro-isoindol-1-one

Systemtic Name: 3-[(2-methylphenyl)amino]-4-nitro-isoindol-1-one Openeye Name: 3-(2-methylanilino)-4-nitro-isoindol-1-one CAS Name: 3-(2-methylanilino)-4-nitro-1-isoindolone IUPAC Name: 3-(2-methylanilino)-4-nitroisoindol-1-one Traditional Name: 4-nitro-3-(o-toluidino)isoindol-1-one Formula: C15H11N3O3 MolecularWeight: 281.26614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=O)C3=C2C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=O)C3=C2C(=CC=C3)[N+](=O)[O-]

InChI

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