5-[(3-chloranyl-7-nitro-1-benzothiophen-2-yl)carbonylamino]-3-methyl-2-oxidanyl-benzoic acid

Systemtic Name: 5-[(3-chloranyl-7-nitro-1-benzothiophen-2-yl)carbonylamino]-3-methyl-2-oxidanyl-benzoic acid Openeye Name: 5-[(3-chloro-7-nitro-benzothiophene-2-carbonyl)amino]-2-hydroxy-3-methyl-benzoic acid CAS Name: 5-[[(3-chloro-7-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]-2-hydroxy-3-methylbenzoic acid IUPAC Name: 5-[(3-chloro-7-nitro-1-benzothiophene-2-carbonyl)amino]-2-hydroxy-3-methylbenzoic acid Traditional Name: 5-[(3-chloro-7-nitro-benzothiophene-2-carbonyl)amino]-2-hydroxy-3-methyl-benzoic acid Formula: C17H11ClN2O6S MolecularWeight: 406.79704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)NC(=O)C2=C(C3=C(S2)C(=CC=C3)[N+](=O)[O-])Cl)C(=O)O)O

Isomeric SMILES

CC1=C(C(=CC(=C1)NC(=O)C2=C(C3=C(S2)C(=CC=C3)[N+](=O)[O-])Cl)C(=O)O)O

InChI

InChI=1S/C17H11ClN2O6S/c1-7-5-8(6-10(13(7)21)17(23)24)19-16(22)15-12(18)9-3-2-4-11(20(25)26)14(9)27-15/h2-6,21H,1H3,(H,19,22)(H,23,24)