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

Systemtic Name: 2-[(4S)-6-azanyl-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-4-nitro-phenolate Openeye Name: 2-[(4S)-6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-4-nitro-phenolate CAS Name: 2-[(4S)-6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-4-nitrophenolate IUPAC Name: 2-[(4S)-6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-4-nitrophenolate Traditional Name: 2-[(4S)-6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-4-nitro-phenolate Formula: C14H10N5O4- MolecularWeight: 312.2603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N5O4/c1-6-11-12(8-4-7(19(21)22)2-3-10(8)20)9(5-15)13(16)23-14(11)18-17-6/h2-4,12,20H,16H2,1H3,(H,17,18)/p-1/t12-/m0/s1