ethyl (4S)-6-azanyl-3-methyl-4-(5-nitro-2-oxidanyl-phenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carboxylate

Systemtic Name: ethyl (4S)-6-azanyl-3-methyl-4-(5-nitro-2-oxidanyl-phenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carboxylate Openeye Name: ethyl (4S)-6-amino-4-(2-hydroxy-5-nitro-phenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carboxylate CAS Name: (4S)-6-amino-4-(2-hydroxy-5-nitrophenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-amino-4-(2-hydroxy-5-nitrophenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carboxylate Traditional Name: (4S)-6-amino-4-(2-hydroxy-5-nitro-phenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carboxylic acid ethyl ester Formula: C16H16N4O6 MolecularWeight: 360.32144

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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)/t12-/m0/s1