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

Systemtic Name: 3-[(3-chloranyl-7-nitro-1-benzothiophen-2-yl)carbonylamino]benzoic acid Openeye Name: 3-[(3-chloro-7-nitro-benzothiophene-2-carbonyl)amino]benzoic acid CAS Name: 3-[[(3-chloro-7-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]benzoic acid IUPAC Name: 3-[(3-chloro-7-nitro-1-benzothiophene-2-carbonyl)amino]benzoic acid Traditional Name: 3-[(3-chloro-7-nitro-benzothiophene-2-carbonyl)amino]benzoic acid Formula: C16H9ClN2O5S MolecularWeight: 376.77106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H9ClN2O5S/c17-12-10-5-2-6-11(19(23)24)13(10)25-14(12)15(20)18-9-4-1-3-8(7-9)16(21)22/h1-7H,(H,18,20)(H,21,22)