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

Systemtic Name: 4-[(4S)-6-azanyl-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(4S)-6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(4S)-6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(4S)-6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(4S)-6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-methoxy-6-nitro-phenolate Formula: C15H12N5O5- MolecularWeight: 342.28628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=C(C(=C3)OC)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C2[C@H](C(=C(OC2=NN1)N)C#N)C3=CC(=C(C(=C3)OC)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H13N5O5/c1-6-11-12(8(5-16)14(17)25-15(11)19-18-6)7-3-9(20(22)23)13(21)10(4-7)24-2/h3-4,12,21H,17H2,1-2H3,(H,18,19)/p-1/t12-/m0/s1