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

Systemtic Name: 4-[(4S)-6-azanyl-5-cyano-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxy-6-nitro-phenolate Openeye Name: 4-[(4S)-6-amino-5-cyano-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxy-6-nitro-phenolate CAS Name: 4-[(4S)-6-amino-5-cyano-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxy-6-nitrophenolate IUPAC Name: 4-[(4S)-6-amino-5-cyano-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxy-6-nitrophenolate Traditional Name: 4-[(4S)-6-amino-5-cyano-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxy-6-nitro-phenolate Formula: C21H16N5O5- MolecularWeight: 418.38224

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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=CC=C4)N)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H17N5O5/c1-2-30-15-9-12(8-14(19(15)27)26(28)29)16-13(10-22)20(23)31-21-17(16)18(24-25-21)11-6-4-3-5-7-11/h3-9,16,27H,2,23H2,1H3,(H,24,25)/p-1/t16-/m0/s1