methyl 4-[6-azanyl-5-cyano-3-(2-methoxy-2-oxidanylidene-ethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate

Systemtic Name: methyl 4-[6-azanyl-5-cyano-3-(2-methoxy-2-oxidanylidene-ethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate Openeye Name: methyl 4-[6-amino-5-cyano-3-(2-methoxy-2-oxo-ethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate CAS Name: 4-[6-amino-5-cyano-3-(2-methoxy-2-oxoethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[6-amino-5-cyano-3-(2-methoxy-2-oxoethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate Traditional Name: 4-[6-amino-5-cyano-3-(2-keto-2-methoxy-ethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoic acid methyl ester Formula: C18H16N4O5 MolecularWeight: 368.34344

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC(=O)CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H16N4O5/c1-25-13(23)7-12-15-14(9-3-5-10(6-4-9)18(24)26-2)11(8-19)16(20)27-17(15)22-21-12/h3-6,14H,7,20H2,1-2H3,(H,21,22)