N-methyl-1-(4-methyl-3-nitro-phenyl)methanamine

Systemtic Name: N-methyl-1-(4-methyl-3-nitro-phenyl)methanamine Openeye Name: N-methyl-1-(4-methyl-3-nitro-phenyl)methanamine CAS Name: N-methyl-1-(4-methyl-3-nitrophenyl)methanamine IUPAC Name: N-methyl-1-(4-methyl-3-nitrophenyl)methanamine Traditional Name: methyl-(4-methyl-3-nitro-benzyl)amine Formula: C9H12N2O2 MolecularWeight: 180.20378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12N2O2/c1-7-3-4-8(6-10-2)5-9(7)11(12)13/h3-5,10H,6H2,1-2H3