4-[(4R)-6-azanyl-5-cyano-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxy-6-nitro-phenolate

Systemtic Name: 4-[(4R)-6-azanyl-5-cyano-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxy-6-nitro-phenolate Openeye Name: 4-[(4R)-6-amino-5-cyano-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxy-6-nitro-phenolate CAS Name: 4-[(4R)-6-amino-5-cyano-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxy-6-nitrophenolate IUPAC Name: 4-[(4R)-6-amino-5-cyano-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxy-6-nitrophenolate Traditional Name: 4-[(4R)-6-amino-5-cyano-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxy-6-nitro-phenolate Formula: C22H18N5O6- MolecularWeight: 448.40822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])C2C(=C(OC3=NNC(=C23)C4=CC=C(C=C4)OC)N)C#N

Isomeric SMILES

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])[C@@H]2C(=C(OC3=NNC(=C23)C4=CC=C(C=C4)OC)N)C#N

InChI

InChI=1S/C22H19N5O6/c1-3-32-16-9-12(8-15(20(16)28)27(29)30)17-14(10-23)21(24)33-22-18(17)19(25-26-22)11-4-6-13(31-2)7-5-11/h4-9,17,28H,3,24H2,1-2H3,(H,25,26)/p-1/t17-/m1/s1