N-[[4-(2-methylpropoxy)phenyl]methyl]-3-nitro-aniline

Systemtic Name: N-[[4-(2-methylpropoxy)phenyl]methyl]-3-nitro-aniline Openeye Name: N-[(4-isobutoxyphenyl)methyl]-3-nitro-aniline CAS Name: N-[[4-(2-methylpropoxy)phenyl]methyl]-3-nitroaniline IUPAC Name: N-[[4-(2-methylpropoxy)phenyl]methyl]-3-nitroaniline Traditional Name: (4-isobutoxybenzyl)-(3-nitrophenyl)amine Formula: C17H20N2O3 MolecularWeight: 300.3523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)CNC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)CNC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O3/c1-13(2)12-22-17-8-6-14(7-9-17)11-18-15-4-3-5-16(10-15)19(20)21/h3-10,13,18H,11-12H2,1-2H3