1-(3-methylphenyl)-3-[4-(6-nitro-1-oxidanylidene-2,3-dihydroisoindol-4-yl)phenyl]urea

Systemtic Name: 1-(3-methylphenyl)-3-[4-(6-nitro-1-oxidanylidene-2,3-dihydroisoindol-4-yl)phenyl]urea Openeye Name: 1-(m-tolyl)-3-[4-(6-nitro-1-oxo-isoindolin-4-yl)phenyl]urea CAS Name: 1-(3-methylphenyl)-3-[4-(6-nitro-1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea IUPAC Name: 1-(3-methylphenyl)-3-[4-(6-nitro-1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea Traditional Name: 1-[4-(1-keto-6-nitro-isoindolin-4-yl)phenyl]-3-(m-tolyl)urea Formula: C22H18N4O4 MolecularWeight: 402.40272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2=CC=C(C=C2)C3=CC(=CC4=C3CNC4=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2=CC=C(C=C2)C3=CC(=CC4=C3CNC4=O)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O4/c1-13-3-2-4-16(9-13)25-22(28)24-15-7-5-14(6-8-15)18-10-17(26(29)30)11-19-20(18)12-23-21(19)27/h2-11H,12H2,1H3,(H,23,27)(H2,24,25,28)