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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11ClN2O5S/c1-25-17(22)9-5-7-10(8-6-9)19-16(21)15-13(18)11-3-2-4-12(20(23)24)14(11)26-15/h2-8H,1H3,(H,19,21)