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

Systemtic Name: propan-2-yl 4-[(3-chloranyl-7-nitro-1-benzothiophen-2-yl)carbonylamino]benzoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 4-[(3-chloro-7-nitro-1-benzothiophene-2-carbonyl)amino]benzoate Traditional Name: 4-[(3-chloro-7-nitro-benzothiophene-2-carbonyl)amino]benzoic acid isopropyl ester Formula: C19H15ClN2O5S MolecularWeight: 418.8508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15ClN2O5S/c1-10(2)27-19(24)11-6-8-12(9-7-11)21-18(23)17-15(20)13-4-3-5-14(22(25)26)16(13)28-17/h3-10H,1-2H3,(H,21,23)