methyl 2-[(2-azanylidene-6-nitro-chromen-3-yl)carbonylamino]-4-(4-bromophenyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-azanylidene-6-nitro-chromen-3-yl)carbonylamino]-4-(4-bromophenyl)thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-[(2-imino-6-nitro-chromene-3-carbonyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[(2-imino-6-nitro-1-benzopyran-3-yl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-[(2-imino-6-nitrochromene-3-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[(2-imino-6-nitro-chromene-3-carbonyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C22H14BrN3O6S MolecularWeight: 528.33206

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=N

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=N

InChI

InChI=1S/C22H14BrN3O6S/c1-31-22(28)18-16(11-2-4-13(23)5-3-11)10-33-21(18)25-20(27)15-9-12-8-14(26(29)30)6-7-17(12)32-19(15)24/h2-10,24H,1H3,(H,25,27)