5-[(3-methoxyphenyl)amino]-2-(4-methylphenyl)-6-nitro-isoindole-1,3-dione

Systemtic Name: 5-[(3-methoxyphenyl)amino]-2-(4-methylphenyl)-6-nitro-isoindole-1,3-dione Openeye Name: 5-(3-methoxyanilino)-6-nitro-2-(p-tolyl)isoindoline-1,3-dione CAS Name: 5-(3-methoxyanilino)-2-(4-methylphenyl)-6-nitroisoindole-1,3-dione IUPAC Name: 5-(3-methoxyanilino)-2-(4-methylphenyl)-6-nitroisoindole-1,3-dione Traditional Name: 5-(m-anisidino)-6-nitro-2-(p-tolyl)isoindoline-1,3-quinone Formula: C22H17N3O5 MolecularWeight: 403.38748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=CC(=C(C=C3C2=O)[N+](=O)[O-])NC4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=CC(=C(C=C3C2=O)[N+](=O)[O-])NC4=CC(=CC=C4)OC

InChI

InChI=1S/C22H17N3O5/c1-13-6-8-15(9-7-13)24-21(26)17-11-19(20(25(28)29)12-18(17)22(24)27)23-14-4-3-5-16(10-14)30-2/h3-12,23H,1-2H3