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

Systemtic Name: N-heptan-4-yl-2-methyl-4-nitro-aniline Openeye Name: 2-methyl-4-nitro-N-(1-propylbutyl)aniline CAS Name: N-heptan-4-yl-2-methyl-4-nitroaniline IUPAC Name: N-heptan-4-yl-2-methyl-4-nitroaniline Traditional Name: (2-methyl-4-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)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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