4-(1-adamantyl)-2-methyl-6-nitro-aniline

Systemtic Name: 4-(1-adamantyl)-2-methyl-6-nitro-aniline Openeye Name: 4-(1-adamantyl)-2-methyl-6-nitro-aniline CAS Name: 4-(1-adamantyl)-2-methyl-6-nitroaniline IUPAC Name: 4-(1-adamantyl)-2-methyl-6-nitroaniline Traditional Name: [4-(1-adamantyl)-2-methyl-6-nitro-phenyl]amine Formula: C17H22N2O2 MolecularWeight: 286.36878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C23CC4CC(C2)CC(C4)C3)[N+](=O)[O-])N

Isomeric SMILES

CC1=C(C(=CC(=C1)C23CC4CC(C2)CC(C4)C3)[N+](=O)[O-])N

InChI

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