methyl 3-[[4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-phenyl]carbonylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[[4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-phenyl]carbonylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[[4-(4-chloro-2-nitrophenoxy)-3-methoxyphenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C22H19ClN2O7S MolecularWeight: 490.91346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)NC(CC(=O)OC)C2=CC=CS2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)NC(CC(=O)OC)C2=CC=CS2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H19ClN2O7S/c1-30-19-10-13(22(27)24-15(12-21(26)31-2)20-4-3-9-33-20)5-7-18(19)32-17-8-6-14(23)11-16(17)25(28)29/h3-11,15H,12H2,1-2H3,(H,24,27)