3-(1,3-benzodioxol-5-ylcarbonylamino)-5-(3-nitrophenyl)thiophene-2-carboxylic acid

Systemtic Name: 3-(1,3-benzodioxol-5-ylcarbonylamino)-5-(3-nitrophenyl)thiophene-2-carboxylic acid Openeye Name: 3-(1,3-benzodioxole-5-carbonylamino)-5-(3-nitrophenyl)thiophene-2-carboxylic acid CAS Name: 3-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-5-(3-nitrophenyl)-2-thiophenecarboxylic acid IUPAC Name: 3-(1,3-benzodioxole-5-carbonylamino)-5-(3-nitrophenyl)thiophene-2-carboxylic acid Traditional Name: 5-(3-nitrophenyl)-3-(piperonyloylamino)-2-thenoic acid Formula: C19H12N2O7S MolecularWeight: 412.37278

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=C(SC(=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=C(SC(=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C19H12N2O7S/c22-18(11-4-5-14-15(7-11)28-9-27-14)20-13-8-16(29-17(13)19(23)24)10-2-1-3-12(6-10)21(25)26/h1-8H,9H2,(H,20,22)(H,23,24)