methyl 3-[[1-(4-nitrophenyl)pyrazol-4-yl]carbonylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[[1-(4-nitrophenyl)pyrazol-4-yl]carbonylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[1-(4-nitrophenyl)pyrazole-4-carbonyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[[1-(4-nitrophenyl)-4-pyrazolyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[1-(4-nitrophenyl)pyrazole-4-carbonyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[1-(4-nitrophenyl)pyrazole-4-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=CN(N=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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