N-(2-methylpropyl)-N-[4-(4-nitrophenyl)butyl]heptan-1-amine

Systemtic Name: N-(2-methylpropyl)-N-[4-(4-nitrophenyl)butyl]heptan-1-amine Openeye Name: N-isobutyl-N-[4-(4-nitrophenyl)butyl]heptan-1-amine CAS Name: N-(2-methylpropyl)-N-[4-(4-nitrophenyl)butyl]-1-heptanamine IUPAC Name: N-(2-methylpropyl)-N-[4-(4-nitrophenyl)butyl]heptan-1-amine Traditional Name: heptyl-isobutyl-[4-(4-nitrophenyl)butyl]amine Formula: C21H36N2O2 MolecularWeight: 348.52274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CCCCC1=CC=C(C=C1)[N+](=O)[O-])CC(C)C

Isomeric SMILES

CCCCCCCN(CCCCC1=CC=C(C=C1)[N+](=O)[O-])CC(C)C

InChI

InChI=1S/C21H36N2O2/c1-4-5-6-7-9-16-22(18-19(2)3)17-10-8-11-20-12-14-21(15-13-20)23(24)25/h12-15,19H,4-11,16-18H2,1-3H3