(E)-4-(dimethylamino)-3-(2-nitrophenyl)but-3-en-2-one

Systemtic Name: (E)-4-(dimethylamino)-3-(2-nitrophenyl)but-3-en-2-one Openeye Name: (E)-4-(dimethylamino)-3-(2-nitrophenyl)but-3-en-2-one CAS Name: (E)-4-(dimethylamino)-3-(2-nitrophenyl)-3-buten-2-one IUPAC Name: (E)-4-(dimethylamino)-3-(2-nitrophenyl)but-3-en-2-one Traditional Name: (E)-4-(dimethylamino)-3-(2-nitrophenyl)but-3-en-2-one Formula: C12H14N2O3 MolecularWeight: 234.25116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O3/c1-9(15)11(8-13(2)3)10-6-4-5-7-12(10)14(16)17/h4-8H,1-3H3/b11-8-