N-(4-methylphenyl)-N-(3-nitrophenyl)pyren-1-amine

Systemtic Name: N-(4-methylphenyl)-N-(3-nitrophenyl)pyren-1-amine Openeye Name: N-(3-nitrophenyl)-N-(p-tolyl)pyren-1-amine CAS Name: N-(4-methylphenyl)-N-(3-nitrophenyl)-1-pyrenamine IUPAC Name: N-(4-methylphenyl)-N-(3-nitrophenyl)pyren-1-amine Traditional Name: (3-nitrophenyl)-(p-tolyl)-pyren-1-yl-amine Formula: C29H20N2O2 MolecularWeight: 428.4813

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C2=CC(=CC=C2)[N+](=O)[O-])C3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3

Isomeric SMILES

CC1=CC=C(C=C1)N(C2=CC(=CC=C2)[N+](=O)[O-])C3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3

InChI

InChI=1S/C29H20N2O2/c1-19-8-14-23(15-9-19)30(24-6-3-7-25(18-24)31(32)33)27-17-13-22-11-10-20-4-2-5-21-12-16-26(27)29(22)28(20)21/h2-18H,1H3