4-(4-dimethylaminophenyl)-3-nitro-but-3-en-2-one

Systemtic Name: 4-(4-dimethylaminophenyl)-3-nitro-but-3-en-2-one Openeye Name: 4-(4-dimethylaminophenyl)-3-nitro-but-3-en-2-one CAS Name: 4-(4-dimethylaminophenyl)-3-nitro-3-buten-2-one IUPAC Name: 4-(4-dimethylaminophenyl)-3-nitrobut-3-en-2-one Traditional Name: 4-(4-dimethylaminophenyl)-3-nitro-but-3-en-2-one Formula: C12H14N2O3 MolecularWeight: 234.25116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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