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

Systemtic Name: 2-[(4S)-6-azanyl-5-ethoxycarbonyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-4-nitro-phenolate Openeye Name: 2-[(4S)-6-amino-5-ethoxycarbonyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-4-nitro-phenolate CAS Name: 2-[(4S)-6-amino-5-ethoxycarbonyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-4-nitrophenolate IUPAC Name: 2-[(4S)-6-amino-5-ethoxycarbonyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-4-nitrophenolate Traditional Name: 2-[(4S)-6-amino-5-carbethoxy-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-4-nitro-phenolate Formula: C16H15N4O6- MolecularWeight: 359.3135

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=NNC(=C2C1C3=C(C=CC(=C3)[N+](=O)[O-])[O-])C)N

Isomeric SMILES

CCOC(=O)C1=C(OC2=NNC(=C2[C@@H]1C3=C(C=CC(=C3)[N+](=O)[O-])[O-])C)N

InChI

InChI=1S/C16H16N4O6/c1-3-25-16(22)13-12(9-6-8(20(23)24)4-5-10(9)21)11-7(2)18-19-15(11)26-14(13)17/h4-6,12,21H,3,17H2,1-2H3,(H,18,19)/p-1/t12-/m0/s1