2-[(4,5-dimethoxy-2-nitro-phenyl)methoxycarbonylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 2-[(4,5-dimethoxy-2-nitro-phenyl)methoxycarbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 2-[(4,5-dimethoxy-2-nitro-phenyl)methoxycarbonylamino]-3-(2-thienyl)propanoic acid CAS Name: 2-[[(4,5-dimethoxy-2-nitrophenyl)methoxy-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 2-[(4,5-dimethoxy-2-nitrophenyl)methoxycarbonylamino]-3-thiophen-2-ylpropanoic acid Traditional Name: 2-[(4,5-dimethoxy-2-nitro-benzyl)oxycarbonylamino]-3-(2-thienyl)propionic acid Formula: C17H18N2O8S MolecularWeight: 410.39842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)COC(=O)NC(CC2=CC=CS2)C(=O)O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)COC(=O)NC(CC2=CC=CS2)C(=O)O)[N+](=O)[O-])OC

InChI

InChI=1S/C17H18N2O8S/c1-25-14-6-10(13(19(23)24)8-15(14)26-2)9-27-17(22)18-12(16(20)21)7-11-4-3-5-28-11/h3-6,8,12H,7,9H2,1-2H3,(H,18,22)(H,20,21)