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

Systemtic Name: 2-methoxy-4-(methylamino)-1-(3-nitrophenyl)butan-1-one Openeye Name: 2-methoxy-4-(methylamino)-1-(3-nitrophenyl)butan-1-one CAS Name: 2-methoxy-4-(methylamino)-1-(3-nitrophenyl)-1-butanone IUPAC Name: 2-methoxy-4-(methylamino)-1-(3-nitrophenyl)butan-1-one Traditional Name: 2-methoxy-4-(methylamino)-1-(3-nitrophenyl)butan-1-one Formula: C12H16N2O4 MolecularWeight: 252.26644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O4/c1-13-7-6-11(18-2)12(15)9-4-3-5-10(8-9)14(16)17/h3-5,8,11,13H,6-7H2,1-2H3