[4-[(4S)-2-azanyl-3-cyano-7-methyl-5-oxidanylidene-4H-pyrano[3,2-c]pyran-4-yl]-2-ethoxy-6-nitro-phenyl] morpholine-4-carboxylate

Systemtic Name: [4-[(4S)-2-azanyl-3-cyano-7-methyl-5-oxidanylidene-4H-pyrano[3,2-c]pyran-4-yl]-2-ethoxy-6-nitro-phenyl] morpholine-4-carboxylate Openeye Name: [4-[(4S)-2-amino-3-cyano-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-4-yl]-2-ethoxy-6-nitro-phenyl] morpholine-4-carboxylate CAS Name: 4-morpholinecarboxylic acid [4-[(4S)-2-amino-3-cyano-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-4-yl]-2-ethoxy-6-nitrophenyl] ester IUPAC Name: [4-[(4S)-2-amino-3-cyano-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-4-yl]-2-ethoxy-6-nitrophenyl] morpholine-4-carboxylate Traditional Name: morpholine-4-carboxylic acid [4-[(4S)-2-amino-3-cyano-5-keto-7-methyl-4H-pyrano[3,2-c]pyran-4-yl]-2-ethoxy-6-nitro-phenyl] ester Formula: C23H22N4O9 MolecularWeight: 498.44218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OC(=O)N2CCOCC2)[N+](=O)[O-])C3C(=C(OC4=C3C(=O)OC(=C4)C)N)C#N

Isomeric SMILES

CCOC1=CC(=CC(=C1OC(=O)N2CCOCC2)[N+](=O)[O-])[C@H]3C(=C(OC4=C3C(=O)OC(=C4)C)N)C#N

InChI

InChI=1S/C23H22N4O9/c1-3-33-17-10-13(9-15(27(30)31)20(17)36-23(29)26-4-6-32-7-5-26)18-14(11-24)21(25)35-16-8-12(2)34-22(28)19(16)18/h8-10,18H,3-7,25H2,1-2H3/t18-/m0/s1