methyl 4-cyano-3-methyl-5-[(6-nitro-2-oxidanylidene-chromen-3-yl)carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 4-cyano-3-methyl-5-[(6-nitro-2-oxidanylidene-chromen-3-yl)carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 4-cyano-3-methyl-5-[(6-nitro-2-oxo-chromene-3-carbonyl)amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[(6-nitro-2-oxo-1-benzopyran-3-yl)-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-3-methyl-5-[(6-nitro-2-oxochromene-3-carbonyl)amino]thiophene-2-carboxylate Traditional Name: 4-cyano-5-[(2-keto-6-nitro-chromene-3-carbonyl)amino]-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C18H11N3O7S MolecularWeight: 413.36084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O)C(=O)OC

InChI

InChI=1S/C18H11N3O7S/c1-8-12(7-19)16(29-14(8)18(24)27-2)20-15(22)11-6-9-5-10(21(25)26)3-4-13(9)28-17(11)23/h3-6H,1-2H3,(H,20,22)