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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=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/C17H11ClN2O5S/c1-8-5-6-9(17(22)23)7-11(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)