3-[(3-methyl-1-benzofuran-2-yl)carbonylamino]-5-(3-nitrophenyl)thiophene-2-carboxylic acid

Systemtic Name: 3-[(3-methyl-1-benzofuran-2-yl)carbonylamino]-5-(3-nitrophenyl)thiophene-2-carboxylic acid Openeye Name: 3-[(3-methylbenzofuran-2-carbonyl)amino]-5-(3-nitrophenyl)thiophene-2-carboxylic acid CAS Name: 3-[[(3-methyl-2-benzofuranyl)-oxomethyl]amino]-5-(3-nitrophenyl)-2-thiophenecarboxylic acid IUPAC Name: 3-[(3-methyl-1-benzofuran-2-carbonyl)amino]-5-(3-nitrophenyl)thiophene-2-carboxylic acid Traditional Name: 3-[(3-methylbenzofuran-2-carbonyl)amino]-5-(3-nitrophenyl)-2-thenoic acid Formula: C21H14N2O6S MolecularWeight: 422.41066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NC3=C(SC(=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)NC3=C(SC(=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H14N2O6S/c1-11-14-7-2-3-8-16(14)29-18(11)20(24)22-15-10-17(30-19(15)21(25)26)12-5-4-6-13(9-12)23(27)28/h2-10H,1H3,(H,22,24)(H,25,26)