ethyl 4-(1,3-benzodioxol-5-yl)-3-cyano-9-oxidanyl-2-pyrrol-1-yl-4H-benzo[h]chromene-8-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-yl)-3-cyano-9-oxidanyl-2-pyrrol-1-yl-4H-benzo[h]chromene-8-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-yl)-3-cyano-9-hydroxy-2-pyrrol-1-yl-4H-benzo[h]chromene-8-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-3-cyano-9-hydroxy-2-(1-pyrrolyl)-4H-benzo[h][1]benzopyran-8-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-yl)-3-cyano-9-hydroxy-2-pyrrol-1-yl-4H-benzo[h]chromene-8-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-3-cyano-9-hydroxy-2-pyrrol-1-yl-4H-benzo[h]chromene-8-carboxylic acid ethyl ester Formula: C28H20N2O6 MolecularWeight: 480.4682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C2C(=C1)C=CC3=C2OC(=C(C3C4=CC5=C(C=C4)OCO5)C#N)N6C=CC=C6)O

Isomeric SMILES

CCOC(=O)C1=C(C=C2C(=C1)C=CC3=C2OC(=C(C3C4=CC5=C(C=C4)OCO5)C#N)N6C=CC=C6)O

InChI

InChI=1S/C28H20N2O6/c1-2-33-28(32)20-11-16-5-7-18-25(17-6-8-23-24(12-17)35-15-34-23)21(14-29)27(30-9-3-4-10-30)36-26(18)19(16)13-22(20)31/h3-13,25,31H,2,15H2,1H3