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

Systemtic Name: 4-[(4S)-6-azanyl-5-cyano-3-propyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(4S)-6-amino-5-cyano-3-propyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(4S)-6-amino-5-cyano-3-propyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(4S)-6-amino-5-cyano-3-propyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(4S)-6-amino-5-cyano-3-propyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-methoxy-6-nitro-phenolate Formula: C17H16N5O5- MolecularWeight: 370.33944

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=C(C(=C3)OC)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCC1=C2[C@H](C(=C(OC2=NN1)N)C#N)C3=CC(=C(C(=C3)OC)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O5/c1-3-4-10-14-13(9(7-18)16(19)27-17(14)21-20-10)8-5-11(22(24)25)15(23)12(6-8)26-2/h5-6,13,23H,3-4,19H2,1-2H3,(H,20,21)/p-1/t13-/m0/s1