6-bromanyl-1-[5-ethanoyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]hexan-1-one

Systemtic Name: 6-bromanyl-1-[5-ethanoyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]hexan-1-one Openeye Name: 1-[5-acetyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]-6-bromo-hexan-1-one CAS Name: 1-[5-acetyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]-6-bromo-1-hexanone IUPAC Name: 1-[5-acetyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]-6-bromohexan-1-one Traditional Name: 1-[5-acetyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]-6-bromo-hexan-1-one Formula: C21H25BrN2O4 MolecularWeight: 449.3382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)CCCCCBr)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)CCCCCBr)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C21H25BrN2O4/c1-13-19(15(3)25)21(16-8-7-9-17(12-16)24(27)28)20(14(2)23-13)18(26)10-5-4-6-11-22/h7-9,12,21,23H,4-6,10-11H2,1-3H3