ethyl 5-azanyl-3-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-1-(4-nitrophenyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-3-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-1-(4-nitrophenyl)pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-3-(2-methoxy-2-oxo-ethyl)sulfanyl-1-(4-nitrophenyl)pyrazole-4-carboxylate CAS Name: 5-amino-3-[(2-methoxy-2-oxoethyl)thio]-1-(4-nitrophenyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-(2-methoxy-2-oxoethyl)sulfanyl-1-(4-nitrophenyl)pyrazole-4-carboxylate Traditional Name: 5-amino-3-[(2-keto-2-methoxy-ethyl)thio]-1-(4-nitrophenyl)pyrazole-4-carboxylic acid ethyl ester Formula: C15H16N4O6S MolecularWeight: 380.37574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1SCC(=O)OC)C2=CC=C(C=C2)[N+](=O)[O-])N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1SCC(=O)OC)C2=CC=C(C=C2)[N+](=O)[O-])N

InChI

InChI=1S/C15H16N4O6S/c1-3-25-15(21)12-13(16)18(17-14(12)26-8-11(20)24-2)9-4-6-10(7-5-9)19(22)23/h4-7H,3,8,16H2,1-2H3