methyl 3-[(5-nitro-1-benzothiophen-2-yl)carbonylamino]benzoate

Systemtic Name: methyl 3-[(5-nitro-1-benzothiophen-2-yl)carbonylamino]benzoate Openeye Name: methyl 3-[(5-nitrobenzothiophene-2-carbonyl)amino]benzoate CAS Name: 3-[[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(5-nitro-1-benzothiophene-2-carbonyl)amino]benzoate Traditional Name: 3-[(5-nitrobenzothiophene-2-carbonyl)amino]benzoic acid methyl ester Formula: C17H12N2O5S MolecularWeight: 356.35258

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H12N2O5S/c1-24-17(21)10-3-2-4-12(7-10)18-16(20)15-9-11-8-13(19(22)23)5-6-14(11)25-15/h2-9H,1H3,(H,18,20)