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

Systemtic Name: 5-chloranyl-1-[5-ethanoyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]pentan-1-one Openeye Name: 1-[5-acetyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]-5-chloro-pentan-1-one CAS Name: 1-[5-acetyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]-5-chloro-1-pentanone IUPAC Name: 1-[5-acetyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]-5-chloropentan-1-one Traditional Name: 1-[5-acetyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]-5-chloro-pentan-1-one Formula: C20H23ClN2O4 MolecularWeight: 390.86062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O4/c1-12-18(14(3)24)20(15-7-6-8-16(11-15)23(26)27)19(13(2)22-12)17(25)9-4-5-10-21/h6-8,11,20,22H,4-5,9-10H2,1-3H3