3-nitro-N-octadecyl-4-(pyridin-2-ylmethyl)aniline

Systemtic Name: 3-nitro-N-octadecyl-4-(pyridin-2-ylmethyl)aniline Openeye Name: 3-nitro-N-octadecyl-4-(2-pyridylmethyl)aniline CAS Name: 3-nitro-N-octadecyl-4-(2-pyridinylmethyl)aniline IUPAC Name: 3-nitro-N-octadecyl-4-(pyridin-2-ylmethyl)aniline Traditional Name: [3-nitro-4-(2-pyridylmethyl)phenyl]-stearyl-amine Formula: C30H47N3O2 MolecularWeight: 481.71308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC1=CC(=C(C=C1)CC2=CC=CC=N2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC1=CC(=C(C=C1)CC2=CC=CC=N2)[N+](=O)[O-]

InChI

InChI=1S/C30H47N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-23-32-29-22-21-27(30(26-29)33(34)35)25-28-20-17-19-24-31-28/h17,19-22,24,26,32H,2-16,18,23,25H2,1H3