ethyl 6-(2-bromanylethanoylamino)-2-methyl-4-(3-nitrophenyl)pyridine-3-carboxylate

Systemtic Name: ethyl 6-(2-bromanylethanoylamino)-2-methyl-4-(3-nitrophenyl)pyridine-3-carboxylate Openeye Name: ethyl 6-[(2-bromoacetyl)amino]-2-methyl-4-(3-nitrophenyl)pyridine-3-carboxylate CAS Name: 6-[(2-bromo-1-oxoethyl)amino]-2-methyl-4-(3-nitrophenyl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[(2-bromoacetyl)amino]-2-methyl-4-(3-nitrophenyl)pyridine-3-carboxylate Traditional Name: 6-[(2-bromoacetyl)amino]-2-methyl-4-(3-nitrophenyl)nicotinic acid ethyl ester Formula: C17H16BrN3O5 MolecularWeight: 422.23004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)CBr)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)CBr)C

InChI

InChI=1S/C17H16BrN3O5/c1-3-26-17(23)16-10(2)19-14(20-15(22)9-18)8-13(16)11-5-4-6-12(7-11)21(24)25/h4-8H,3,9H2,1-2H3,(H,19,20,22)