2-[[(3-methylphenyl)amino]methyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[(3-methylphenyl)amino]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[(3-methylanilino)methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[(3-methylanilino)methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[(3-methylanilino)methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-(m-toluidinomethyl)-4-nitro-isoindoline-1,3-quinone Formula: C16H13N3O4 MolecularWeight: 311.29212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O4/c1-10-4-2-5-11(8-10)17-9-18-15(20)12-6-3-7-13(19(22)23)14(12)16(18)21/h2-8,17H,9H2,1H3