ethyl 4-[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 4-[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate Openeye Name: ethyl 4-[2-[(3-cyano-2-thienyl)amino]-2-oxo-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate CAS Name: 4-[2-[(3-cyano-2-thiophenyl)amino]-2-oxoethoxy]-1-(4-nitrophenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate Traditional Name: 4-[2-[(3-cyano-2-thienyl)amino]-2-keto-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C19H15N5O6S MolecularWeight: 441.4173

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C=C1OCC(=O)NC2=C(C=CS2)C#N)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NN(C=C1OCC(=O)NC2=C(C=CS2)C#N)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H15N5O6S/c1-2-29-19(26)17-15(30-11-16(25)21-18-12(9-20)7-8-31-18)10-23(22-17)13-3-5-14(6-4-13)24(27)28/h3-8,10H,2,11H2,1H3,(H,21,25)