4-[(4S)-6-azanyl-5-cyano-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazol-4-yl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(4S)-6-azanyl-5-cyano-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazol-4-yl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(4S)-6-amino-5-cyano-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazol-4-yl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(4S)-6-amino-5-cyano-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazol-4-yl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(4S)-6-amino-5-cyano-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazol-4-yl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(4S)-6-amino-5-cyano-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazol-4-yl]-2-methoxy-6-nitro-phenolate Formula: C21H16N5O5- MolecularWeight: 418.38224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC(=C(C(=C3)OC)[O-])[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=C1[C@@H](C(=C(O2)N)C#N)C3=CC(=C(C(=C3)OC)[O-])[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H17N5O5/c1-11-17-18(12-8-15(26(28)29)19(27)16(9-12)30-2)14(10-22)20(23)31-21(17)25(24-11)13-6-4-3-5-7-13/h3-9,18,27H,23H2,1-2H3/p-1/t18-/m1/s1