4-(1-adamantyl)-N-methyl-2-nitro-aniline

Systemtic Name: 4-(1-adamantyl)-N-methyl-2-nitro-aniline Openeye Name: 4-(1-adamantyl)-N-methyl-2-nitro-aniline CAS Name: 4-(1-adamantyl)-N-methyl-2-nitroaniline IUPAC Name: 4-(1-adamantyl)-N-methyl-2-nitroaniline Traditional Name: [4-(1-adamantyl)-2-nitro-phenyl]-methyl-amine Formula: C17H22N2O2 MolecularWeight: 286.36878

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

InChI

InChI=1S/C17H22N2O2/c1-18-15-3-2-14(7-16(15)19(20)21)17-8-11-4-12(9-17)6-13(5-11)10-17/h2-3,7,11-13,18H,4-6,8-10H2,1H3