2-methyl-4-(methylamino)-1-(3-nitrophenyl)butan-1-one

Systemtic Name: 2-methyl-4-(methylamino)-1-(3-nitrophenyl)butan-1-one Openeye Name: 2-methyl-4-(methylamino)-1-(3-nitrophenyl)butan-1-one CAS Name: 2-methyl-4-(methylamino)-1-(3-nitrophenyl)-1-butanone IUPAC Name: 2-methyl-4-(methylamino)-1-(3-nitrophenyl)butan-1-one Traditional Name: 2-methyl-4-(methylamino)-1-(3-nitrophenyl)butan-1-one Formula: C12H16N2O3 MolecularWeight: 236.26704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O3/c1-9(6-7-13-2)12(15)10-4-3-5-11(8-10)14(16)17/h3-5,8-9,13H,6-7H2,1-2H3