ethyl 4-[(3-bromanyl-2-iodanyl-phenyl)carbamoyl]-5-(2-nitrophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate

Systemtic Name: ethyl 4-[(3-bromanyl-2-iodanyl-phenyl)carbamoyl]-5-(2-nitrophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate Openeye Name: ethyl 4-[(3-bromo-2-iodo-phenyl)carbamoyl]-5-(2-nitrophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate CAS Name: 4-[(3-bromo-2-iodoanilino)-oxomethyl]-5-(2-nitrophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-bromo-2-iodophenyl)carbamoyl]-5-(2-nitrophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate Traditional Name: 4-[(3-bromo-2-iodo-phenyl)carbamoyl]-5-(2-nitrophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid ethyl ester Formula: C21H19BrIN3O5 MolecularWeight: 600.20113

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(=C(C1)C2=CC=CC=C2[N+](=O)[O-])C(=O)NC3=C(C(=CC=C3)Br)I

Isomeric SMILES

CCOC(=O)N1CCC(=C(C1)C2=CC=CC=C2[N+](=O)[O-])C(=O)NC3=C(C(=CC=C3)Br)I

InChI

InChI=1S/C21H19BrIN3O5/c1-2-31-21(28)25-11-10-14(20(27)24-17-8-5-7-16(22)19(17)23)15(12-25)13-6-3-4-9-18(13)26(29)30/h3-9H,2,10-12H2,1H3,(H,24,27)