propan-2-yl 4-(4-bromanylthiophen-2-yl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate

Systemtic Name: propan-2-yl 4-(4-bromanylthiophen-2-yl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate Openeye Name: isopropyl 4-(4-bromo-2-thienyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate CAS Name: 4-(4-bromo-2-thiophenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(4-bromothiophen-2-yl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(4-bromo-2-thienyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid isopropyl ester Formula: C15H17BrN2O4S MolecularWeight: 401.27548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC(=CS2)Br)C(=O)OC(C)C

Isomeric SMILES

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC(=CS2)Br)C(=O)OC(C)C

InChI

InChI=1S/C15H17BrN2O4S/c1-7(2)22-15(19)12-8(3)17-9(4)14(18(20)21)13(12)11-5-10(16)6-23-11/h5-7,13,17H,1-4H3