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

Systemtic Name: 2-[4-[(3-chloranyl-7-nitro-1-benzothiophen-2-yl)carbonylamino]phenyl]ethanoic acid Openeye Name: 2-[4-[(3-chloro-7-nitro-benzothiophene-2-carbonyl)amino]phenyl]acetic acid CAS Name: 2-[4-[[(3-chloro-7-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[(3-chloro-7-nitro-1-benzothiophene-2-carbonyl)amino]phenyl]acetic acid Traditional Name: 2-[4-[(3-chloro-7-nitro-benzothiophene-2-carbonyl)amino]phenyl]acetic 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)NC3=CC=C(C=C3)CC(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])SC(=C2Cl)C(=O)NC3=CC=C(C=C3)CC(=O)O

InChI

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