2-[(2,4-dichlorophenyl)carbonyl-[(5-nitrothiophen-3-yl)methyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(2,4-dichlorophenyl)carbonyl-[(5-nitrothiophen-3-yl)methyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[(2,4-dichlorobenzoyl)-[(5-nitro-3-thienyl)methyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[(2,4-dichlorophenyl)-oxomethyl]-[(5-nitro-3-thiophenyl)methyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[(2,4-dichlorobenzoyl)-[(5-nitrothiophen-3-yl)methyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[(2,4-dichlorobenzoyl)-[(5-nitro-3-thienyl)methyl]amino]-3-phenyl-propionic acid Formula: C21H16Cl2N2O5S MolecularWeight: 479.33314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)N(CC2=CSC(=C2)[N+](=O)[O-])C(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)N(CC2=CSC(=C2)[N+](=O)[O-])C(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H16Cl2N2O5S/c22-15-6-7-16(17(23)10-15)20(26)24(11-14-9-19(25(29)30)31-12-14)18(21(27)28)8-13-4-2-1-3-5-13/h1-7,9-10,12,18H,8,11H2,(H,27,28)