methyl 6-[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-cyano-4-(4-methylphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-3-carboxylate

Systemtic Name: methyl 6-[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-cyano-4-(4-methylphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: methyl 6-[2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl]sulfanyl-5-cyano-2-oxo-4-(p-tolyl)-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: 6-[[2-(2-bromo-4-nitroanilino)-2-oxoethyl]thio]-5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-[2-(2-bromo-4-nitroanilino)-2-oxoethyl]sulfanyl-5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: 6-[[2-(2-bromo-4-nitro-anilino)-2-keto-ethyl]thio]-5-cyano-2-keto-4-(p-tolyl)-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester Formula: C23H19BrN4O6S MolecularWeight: 559.38916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br)C(=O)OC

InChI

InChI=1S/C23H19BrN4O6S/c1-12-3-5-13(6-4-12)19-15(10-25)22(27-21(30)20(19)23(31)34-2)35-11-18(29)26-17-8-7-14(28(32)33)9-16(17)24/h3-9,19-20H,11H2,1-2H3,(H,26,29)(H,27,30)