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

Systemtic Name: methyl 2-[(2-azanylidene-6-nitro-chromen-3-yl)carbonylamino]-4-(2-chlorophenyl)thiophene-3-carboxylate Openeye Name: methyl 4-(2-chlorophenyl)-2-[(2-imino-6-nitro-chromene-3-carbonyl)amino]thiophene-3-carboxylate CAS Name: 4-(2-chlorophenyl)-2-[[(2-imino-6-nitro-1-benzopyran-3-yl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(2-chlorophenyl)-2-[(2-imino-6-nitrochromene-3-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 4-(2-chlorophenyl)-2-[(2-imino-6-nitro-chromene-3-carbonyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C22H14ClN3O6S MolecularWeight: 483.88106

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=O)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=N

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=O)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=N

InChI

InChI=1S/C22H14ClN3O6S/c1-31-22(28)18-15(13-4-2-3-5-16(13)23)10-33-21(18)25-20(27)14-9-11-8-12(26(29)30)6-7-17(11)32-19(14)24/h2-10,24H,1H3,(H,25,27)