3-methyl-N-[(4-methyl-3-nitro-phenyl)methyl]butan-1-amine

Systemtic Name: 3-methyl-N-[(4-methyl-3-nitro-phenyl)methyl]butan-1-amine Openeye Name: 3-methyl-N-[(4-methyl-3-nitro-phenyl)methyl]butan-1-amine CAS Name: 3-methyl-N-[(4-methyl-3-nitrophenyl)methyl]-1-butanamine IUPAC Name: 3-methyl-N-[(4-methyl-3-nitrophenyl)methyl]butan-1-amine Traditional Name: isoamyl-(4-methyl-3-nitro-benzyl)amine Formula: C13H20N2O2 MolecularWeight: 236.3101

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNCCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)CNCCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C13H20N2O2/c1-10(2)6-7-14-9-12-5-4-11(3)13(8-12)15(16)17/h4-5,8,10,14H,6-7,9H2,1-3H3