N-heptan-2-yl-2-methyl-4-nitro-aniline

Systemtic Name: N-heptan-2-yl-2-methyl-4-nitro-aniline Openeye Name: 2-methyl-N-(1-methylhexyl)-4-nitro-aniline CAS Name: N-heptan-2-yl-2-methyl-4-nitroaniline IUPAC Name: N-heptan-2-yl-2-methyl-4-nitroaniline Traditional Name: 1-methylhexyl-(2-methyl-4-nitro-phenyl)amine Formula: C14H22N2O2 MolecularWeight: 250.33668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC1=C(C=C(C=C1)[N+](=O)[O-])C

Isomeric SMILES

CCCCCC(C)NC1=C(C=C(C=C1)[N+](=O)[O-])C

InChI

InChI=1S/C14H22N2O2/c1-4-5-6-7-12(3)15-14-9-8-13(16(17)18)10-11(14)2/h8-10,12,15H,4-7H2,1-3H3