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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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