2-bromoethyl 5-cyano-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 2-bromoethyl 5-cyano-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: 2-bromoethyl 5-cyano-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid 2-bromoethyl ester IUPAC Name: 2-bromoethyl 5-cyano-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid 2-bromoethyl ester Formula: C17H16BrN3O4 MolecularWeight: 406.23064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrN3O4/c1-10-14(9-19)16(12-4-3-5-13(8-12)21(23)24)15(11(2)20-10)17(22)25-7-6-18/h3-5,8,16,20H,6-7H2,1-2H3