ethyl 6-azanyl-4-(1,3-benzodioxol-5-yl)-5-cyano-2-phenyl-4H-pyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-4-(1,3-benzodioxol-5-yl)-5-cyano-2-phenyl-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-4-(1,3-benzodioxol-5-yl)-5-cyano-2-phenyl-4H-pyran-3-carboxylate CAS Name: 6-amino-4-(1,3-benzodioxol-5-yl)-5-cyano-2-phenyl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-4-(1,3-benzodioxol-5-yl)-5-cyano-2-phenyl-4H-pyran-3-carboxylate Traditional Name: 6-amino-4-(1,3-benzodioxol-5-yl)-5-cyano-2-phenyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C22H18N2O5 MolecularWeight: 390.38872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC3=C(C=C2)OCO3)C#N)N)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=CC3=C(C=C2)OCO3)C#N)N)C4=CC=CC=C4

InChI

InChI=1S/C22H18N2O5/c1-2-26-22(25)19-18(14-8-9-16-17(10-14)28-12-27-16)15(11-23)21(24)29-20(19)13-6-4-3-5-7-13/h3-10,18H,2,12,24H2,1H3