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

Systemtic Name: 4-[(3-chloranyl-7-nitro-1-benzothiophen-2-yl)carbonylamino]-3-methyl-benzoate Openeye Name: 4-[(3-chloro-7-nitro-benzothiophene-2-carbonyl)amino]-3-methyl-benzoate CAS Name: 4-[[(3-chloro-7-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-methylbenzoate IUPAC Name: 4-[(3-chloro-7-nitro-1-benzothiophene-2-carbonyl)amino]-3-methylbenzoate Traditional Name: 4-[(3-chloro-7-nitro-benzothiophene-2-carbonyl)amino]-3-methyl-benzoate Formula: C17H10ClN2O5S- MolecularWeight: 389.7897

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)[O-])NC(=O)C2=C(C3=C(S2)C(=CC=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)[O-])NC(=O)C2=C(C3=C(S2)C(=CC=C3)[N+](=O)[O-])Cl

InChI

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