N,2-dimethyl-4-nitro-3-octan-4-yl-aniline

Systemtic Name: N,2-dimethyl-4-nitro-3-octan-4-yl-aniline Openeye Name: N,2-dimethyl-4-nitro-3-(1-propylpentyl)aniline CAS Name: N,2-dimethyl-4-nitro-3-octan-4-ylaniline IUPAC Name: N,2-dimethyl-4-nitro-3-octan-4-ylaniline Traditional Name: methyl-[2-methyl-4-nitro-3-(1-propylpentyl)phenyl]amine Formula: C16H26N2O2 MolecularWeight: 278.38984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)C1=C(C=CC(=C1C)NC)[N+](=O)[O-]

Isomeric SMILES

CCCCC(CCC)C1=C(C=CC(=C1C)NC)[N+](=O)[O-]

InChI

InChI=1S/C16H26N2O2/c1-5-7-9-13(8-6-2)16-12(3)14(17-4)10-11-15(16)18(19)20/h10-11,13,17H,5-9H2,1-4H3