diethyl 5-acetamido-3-(8-methoxy-6-nitro-2-oxidanylidene-chromen-3-yl)thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-acetamido-3-(8-methoxy-6-nitro-2-oxidanylidene-chromen-3-yl)thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-acetamido-3-(8-methoxy-6-nitro-2-oxo-chromen-3-yl)thiophene-2,4-dicarboxylate CAS Name: 5-acetamido-3-(8-methoxy-6-nitro-2-oxo-1-benzopyran-3-yl)thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-acetamido-3-(8-methoxy-6-nitro-2-oxochromen-3-yl)thiophene-2,4-dicarboxylate Traditional Name: 5-acetamido-3-(2-keto-8-methoxy-6-nitro-chromen-3-yl)thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H20N2O10S MolecularWeight: 504.4666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC3=CC(=CC(=C3OC2=O)OC)[N+](=O)[O-])C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC3=CC(=CC(=C3OC2=O)OC)[N+](=O)[O-])C(=O)OCC)NC(=O)C

InChI

InChI=1S/C22H20N2O10S/c1-5-32-21(27)16-15(18(22(28)33-6-2)35-19(16)23-10(3)25)13-8-11-7-12(24(29)30)9-14(31-4)17(11)34-20(13)26/h7-9H,5-6H2,1-4H3,(H,23,25)