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

Systemtic Name: 2-[(4S)-6-azanyl-5-cyano-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazol-4-yl]-4-nitro-phenolate Openeye Name: 2-[(4S)-6-amino-5-cyano-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazol-4-yl]-4-nitro-phenolate CAS Name: 2-[(4S)-6-amino-5-cyano-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazol-4-yl]-4-nitrophenolate IUPAC Name: 2-[(4S)-6-amino-5-cyano-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazol-4-yl]-4-nitrophenolate Traditional Name: 2-[(4S)-6-amino-5-cyano-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazol-4-yl]-4-nitro-phenolate Formula: C20H14N5O4- MolecularWeight: 388.35626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N5O4/c1-11-17-18(14-9-13(25(27)28)7-8-16(14)26)15(10-21)19(22)29-20(17)24(23-11)12-5-3-2-4-6-12/h2-9,18,26H,22H2,1H3/p-1/t18-/m1/s1