3-(2,3-dihydro-1H-inden-5-ylcarbonylamino)-5-(3-nitrophenyl)thiophene-2-carboxylic acid

Systemtic Name: 3-(2,3-dihydro-1H-inden-5-ylcarbonylamino)-5-(3-nitrophenyl)thiophene-2-carboxylic acid Openeye Name: 3-(indane-5-carbonylamino)-5-(3-nitrophenyl)thiophene-2-carboxylic acid CAS Name: 3-[[2,3-dihydro-1H-inden-5-yl(oxo)methyl]amino]-5-(3-nitrophenyl)-2-thiophenecarboxylic acid IUPAC Name: 3-(2,3-dihydro-1H-indene-5-carbonylamino)-5-(3-nitrophenyl)thiophene-2-carboxylic acid Traditional Name: 3-(indane-5-carbonylamino)-5-(3-nitrophenyl)-2-thenoic acid Formula: C21H16N2O5S MolecularWeight: 408.42714

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)C(=O)NC3=C(SC(=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)C(=O)NC3=C(SC(=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H16N2O5S/c24-20(15-8-7-12-3-1-4-13(12)9-15)22-17-11-18(29-19(17)21(25)26)14-5-2-6-16(10-14)23(27)28/h2,5-11H,1,3-4H2,(H,22,24)(H,25,26)