3-chloranyl-5-[(3-chloranyl-7-nitro-1-benzothiophen-2-yl)carbonylamino]-4-methoxy-benzoic acid

Systemtic Name: 3-chloranyl-5-[(3-chloranyl-7-nitro-1-benzothiophen-2-yl)carbonylamino]-4-methoxy-benzoic acid Openeye Name: 3-chloro-5-[(3-chloro-7-nitro-benzothiophene-2-carbonyl)amino]-4-methoxy-benzoic acid CAS Name: 3-chloro-5-[[(3-chloro-7-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]-4-methoxybenzoic acid IUPAC Name: 3-chloro-5-[(3-chloro-7-nitro-1-benzothiophene-2-carbonyl)amino]-4-methoxybenzoic acid Traditional Name: 3-chloro-5-[(3-chloro-7-nitro-benzothiophene-2-carbonyl)amino]-4-methoxy-benzoic acid Formula: C17H10Cl2N2O6S MolecularWeight: 441.2421

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Cl)C(=O)O)NC(=O)C2=C(C3=C(S2)C(=CC=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=C(C=C(C=C1Cl)C(=O)O)NC(=O)C2=C(C3=C(S2)C(=CC=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H10Cl2N2O6S/c1-27-13-9(18)5-7(17(23)24)6-10(13)20-16(22)15-12(19)8-3-2-4-11(21(25)26)14(8)28-15/h2-6H,1H3,(H,20,22)(H,23,24)