methyl 3-[2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]ethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[(2-chloro-5-nitrophenyl)methyl-methylamino]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[(2-chloro-5-nitro-benzyl)-methyl-amino]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C16H16ClN3O5S MolecularWeight: 397.83334

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CC(=O)NC2=C(SC=C2)C(=O)OC

Isomeric SMILES

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CC(=O)NC2=C(SC=C2)C(=O)OC

InChI

InChI=1S/C16H16ClN3O5S/c1-19(8-10-7-11(20(23)24)3-4-12(10)17)9-14(21)18-13-5-6-26-15(13)16(22)25-2/h3-7H,8-9H2,1-2H3,(H,18,21)