4-[[(3-chloranyl-7-nitro-1-benzothiophen-2-yl)carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[(3-chloranyl-7-nitro-1-benzothiophen-2-yl)carbonylamino]methyl]benzoic acid Openeye Name: 4-[[(3-chloro-7-nitro-benzothiophene-2-carbonyl)amino]methyl]benzoic acid CAS Name: 4-[[[(3-chloro-7-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(3-chloro-7-nitro-1-benzothiophene-2-carbonyl)amino]methyl]benzoic acid Traditional Name: 4-[[(3-chloro-7-nitro-benzothiophene-2-carbonyl)amino]methyl]benzoic acid Formula: C17H11ClN2O5S MolecularWeight: 390.79764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])SC(=C2Cl)C(=O)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])SC(=C2Cl)C(=O)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H11ClN2O5S/c18-13-11-2-1-3-12(20(24)25)14(11)26-15(13)16(21)19-8-9-4-6-10(7-5-9)17(22)23/h1-7H,8H2,(H,19,21)(H,22,23)