3-methyl-2-[(3-methyl-4-nitro-phenyl)amino]butan-1-ol

Systemtic Name: 3-methyl-2-[(3-methyl-4-nitro-phenyl)amino]butan-1-ol Openeye Name: 3-methyl-2-(3-methyl-4-nitro-anilino)butan-1-ol CAS Name: 3-methyl-2-(3-methyl-4-nitroanilino)-1-butanol IUPAC Name: 3-methyl-2-(3-methyl-4-nitroanilino)butan-1-ol Traditional Name: 3-methyl-2-(3-methyl-4-nitro-anilino)butan-1-ol Formula: C12H18N2O3 MolecularWeight: 238.28292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O3/c1-8(2)11(7-15)13-10-4-5-12(14(16)17)9(3)6-10/h4-6,8,11,13,15H,7H2,1-3H3