3-methyl-N-(3-methylbutyl)-4-nitro-aniline

Systemtic Name: 3-methyl-N-(3-methylbutyl)-4-nitro-aniline Openeye Name: N-isopentyl-3-methyl-4-nitro-aniline CAS Name: 3-methyl-N-(3-methylbutyl)-4-nitroaniline IUPAC Name: 3-methyl-N-(3-methylbutyl)-4-nitroaniline Traditional Name: isoamyl-(3-methyl-4-nitro-phenyl)amine Formula: C12H18N2O2 MolecularWeight: 222.28352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O2/c1-9(2)6-7-13-11-4-5-12(14(15)16)10(3)8-11/h4-5,8-9,13H,6-7H2,1-3H3