methyl (6E)-6-(7-bromanyl-5-nitro-8-oxidanylidene-quinolin-2-ylidene)-1H-pyridine-2-carboxylate

Systemtic Name: methyl (6E)-6-(7-bromanyl-5-nitro-8-oxidanylidene-quinolin-2-ylidene)-1H-pyridine-2-carboxylate Openeye Name: methyl (6E)-6-(7-bromo-5-nitro-8-oxo-2-quinolylidene)-1H-pyridine-2-carboxylate CAS Name: (6E)-6-(7-bromo-5-nitro-8-oxo-2-quinolinylidene)-1H-pyridine-2-carboxylic acid methyl ester IUPAC Name: methyl (6E)-6-(7-bromo-5-nitro-8-oxoquinolin-2-ylidene)-1H-pyridine-2-carboxylate Traditional Name: (6E)-6-(7-bromo-8-keto-5-nitro-2-quinolylidene)-1H-pyridine-2-carboxylic acid methyl ester Formula: C16H10BrN3O5 MolecularWeight: 404.1717

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C2C=CC3=C(C=C(C(=O)C3=N2)Br)[N+](=O)[O-])N1

Isomeric SMILES

COC(=O)C1=CC=C/C(=C\2/C=CC3=C(C=C(C(=O)C3=N2)Br)[N+](=O)[O-])/N1

InChI

InChI=1S/C16H10BrN3O5/c1-25-16(22)12-4-2-3-10(18-12)11-6-5-8-13(20(23)24)7-9(17)15(21)14(8)19-11/h2-7,18H,1H3/b11-10+