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

Systemtic Name: 4-[(4S)-6-azanyl-5-cyano-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxy-6-nitro-phenolate Openeye Name: 4-[(4S)-6-amino-5-cyano-3-isopropyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxy-6-nitro-phenolate CAS Name: 4-[(4S)-6-amino-5-cyano-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxy-6-nitrophenolate IUPAC Name: 4-[(4S)-6-amino-5-cyano-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxy-6-nitrophenolate Traditional Name: 4-[(4S)-6-amino-5-cyano-3-isopropyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxy-6-nitro-phenolate Formula: C18H18N5O5- MolecularWeight: 384.36602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])C2C(=C(OC3=NNC(=C23)C(C)C)N)C#N

Isomeric SMILES

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])[C@H]2C(=C(OC3=NNC(=C23)C(C)C)N)C#N

InChI

InChI=1S/C18H19N5O5/c1-4-27-12-6-9(5-11(16(12)24)23(25)26)13-10(7-19)17(20)28-18-14(13)15(8(2)3)21-22-18/h5-6,8,13,24H,4,20H2,1-3H3,(H,21,22)/p-1/t13-/m0/s1