3-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-3-(3-nitrophenyl)propanoic acid

Systemtic Name: 3-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[(3-chlorobenzothiophene-2-carbonyl)amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[(3-chlorobenzothiophene-2-carbonyl)amino]-3-(3-nitrophenyl)propionic acid Formula: C18H13ClN2O5S MolecularWeight: 404.82422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H13ClN2O5S/c19-16-12-6-1-2-7-14(12)27-17(16)18(24)20-13(9-15(22)23)10-4-3-5-11(8-10)21(25)26/h1-8,13H,9H2,(H,20,24)(H,22,23)