3-[(3-chloranyl-7-nitro-1-benzothiophen-2-yl)carbonylamino]-4-methoxy-benzoate

Systemtic Name: 3-[(3-chloranyl-7-nitro-1-benzothiophen-2-yl)carbonylamino]-4-methoxy-benzoate Openeye Name: 3-[(3-chloro-7-nitro-benzothiophene-2-carbonyl)amino]-4-methoxy-benzoate CAS Name: 3-[[(3-chloro-7-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]-4-methoxybenzoate IUPAC Name: 3-[(3-chloro-7-nitro-1-benzothiophene-2-carbonyl)amino]-4-methoxybenzoate Traditional Name: 3-[(3-chloro-7-nitro-benzothiophene-2-carbonyl)amino]-4-methoxy-benzoate Formula: C17H10ClN2O6S- MolecularWeight: 405.7891

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)[O-])NC(=O)C2=C(C3=C(S2)C(=CC=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)[O-])NC(=O)C2=C(C3=C(S2)C(=CC=C3)[N+](=O)[O-])Cl

InChI

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