6-[(E)-4-(dimethylamino)but-2-enyl]-5-nitro-2-(phenylcarbonyl)cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[(E)-4-(dimethylamino)but-2-enyl]-5-nitro-2-(phenylcarbonyl)cyclohexa-2,4-dien-1-one Openeye Name: 2-benzoyl-6-[(E)-4-(dimethylamino)but-2-enyl]-5-nitro-cyclohexa-2,4-dien-1-one CAS Name: 2-benzoyl-6-[(E)-4-(dimethylamino)but-2-enyl]-5-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 2-benzoyl-6-[(E)-4-(dimethylamino)but-2-enyl]-5-nitrocyclohexa-2,4-dien-1-one Traditional Name: 2-benzoyl-6-[(E)-4-(dimethylamino)but-2-enyl]-5-nitro-cyclohexa-2,4-dien-1-one Formula: C19H20N2O4 MolecularWeight: 340.3731

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC=CCC1C(=CC=C(C1=O)C(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CN(C)C/C=C/CC1C(=CC=C(C1=O)C(=O)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O4/c1-20(2)13-7-6-10-15-17(21(24)25)12-11-16(19(15)23)18(22)14-8-4-3-5-9-14/h3-9,11-12,15H,10,13H2,1-2H3/b7-6+