methyl 3-[[1-(3-nitrophenyl)pyrazol-3-yl]carbonylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[[1-(3-nitrophenyl)pyrazol-3-yl]carbonylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[1-(3-nitrophenyl)pyrazole-3-carbonyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[[1-(3-nitrophenyl)-3-pyrazolyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[1-(3-nitrophenyl)pyrazole-3-carbonyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[1-(3-nitrophenyl)pyrazole-3-carbonyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C18H16N4O5S MolecularWeight: 400.40844

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CS1)NC(=O)C2=NN(C=C2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CC(C1=CC=CS1)NC(=O)C2=NN(C=C2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O5S/c1-27-17(23)11-15(16-6-3-9-28-16)19-18(24)14-7-8-21(20-14)12-4-2-5-13(10-12)22(25)26/h2-10,15H,11H2,1H3,(H,19,24)