ethyl 5-nitro-2-[(3-oxidanylidenebenzo[f]chromen-2-yl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-nitro-2-[(3-oxidanylidenebenzo[f]chromen-2-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-nitro-2-[(3-oxobenzo[f]chromene-2-carbonyl)amino]thiophene-3-carboxylate CAS Name: 5-nitro-2-[[oxo-(3-oxo-2-benzo[f][1]benzopyranyl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-nitro-2-[(3-oxobenzo[f]chromene-2-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 2-[(3-ketobenzo[f]chromene-2-carbonyl)amino]-5-nitro-thiophene-3-carboxylic acid ethyl ester Formula: C21H14N2O7S MolecularWeight: 438.41006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)C2=CC3=C(C=CC4=CC=CC=C43)OC2=O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)C2=CC3=C(C=CC4=CC=CC=C43)OC2=O

InChI

InChI=1S/C21H14N2O7S/c1-2-29-20(25)15-10-17(23(27)28)31-19(15)22-18(24)14-9-13-12-6-4-3-5-11(12)7-8-16(13)30-21(14)26/h3-10H,2H2,1H3,(H,22,24)