N-(3-methyl-1-phenyl-butyl)-4-nitro-aniline

Systemtic Name: N-(3-methyl-1-phenyl-butyl)-4-nitro-aniline Openeye Name: N-(3-methyl-1-phenyl-butyl)-4-nitro-aniline CAS Name: N-(3-methyl-1-phenylbutyl)-4-nitroaniline IUPAC Name: N-(3-methyl-1-phenylbutyl)-4-nitroaniline Traditional Name: (3-methyl-1-phenyl-butyl)-(4-nitrophenyl)amine Formula: C17H20N2O2 MolecularWeight: 284.3529

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(C1=CC=CC=C1)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O2/c1-13(2)12-17(14-6-4-3-5-7-14)18-15-8-10-16(11-9-15)19(20)21/h3-11,13,17-18H,12H2,1-2H3