6-[6-[methyl(prop-2-enyl)amino]hexyl]-5-nitro-2-(phenylcarbonyl)cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[6-[methyl(prop-2-enyl)amino]hexyl]-5-nitro-2-(phenylcarbonyl)cyclohexa-2,4-dien-1-one Openeye Name: 6-[6-[allyl(methyl)amino]hexyl]-2-benzoyl-5-nitro-cyclohexa-2,4-dien-1-one CAS Name: 2-benzoyl-6-[6-[methyl(prop-2-enyl)amino]hexyl]-5-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 2-benzoyl-6-[6-[methyl(prop-2-enyl)amino]hexyl]-5-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[6-[allyl(methyl)amino]hexyl]-2-benzoyl-5-nitro-cyclohexa-2,4-dien-1-one Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCCCC1C(=CC=C(C1=O)C(=O)C2=CC=CC=C2)[N+](=O)[O-])CC=C

Isomeric SMILES

CN(CCCCCCC1C(=CC=C(C1=O)C(=O)C2=CC=CC=C2)[N+](=O)[O-])CC=C

InChI

InChI=1S/C23H28N2O4/c1-3-16-24(2)17-10-5-4-9-13-19-21(25(28)29)15-14-20(23(19)27)22(26)18-11-7-6-8-12-18/h3,6-8,11-12,14-15,19H,1,4-5,9-10,13,16-17H2,2H3