methyl 3-[[4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-phenyl]carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-phenyl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoyl]amino]thiophene-2-carboxylate CAS Name: 3-[[[4-(4-chloro-2-nitrophenoxy)-3-methoxyphenyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C20H15ClN2O7S MolecularWeight: 462.8603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)NC2=C(SC=C2)C(=O)OC)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)NC2=C(SC=C2)C(=O)OC)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H15ClN2O7S/c1-28-17-9-11(19(24)22-13-7-8-31-18(13)20(25)29-2)3-5-16(17)30-15-6-4-12(21)10-14(15)23(26)27/h3-10H,1-2H3,(H,22,24)