ethyl 2-azanyl-3-cyano-9-oxidanyl-4-pyridin-3-yl-4H-benzo[h]chromene-8-carboxylate

Systemtic Name: ethyl 2-azanyl-3-cyano-9-oxidanyl-4-pyridin-3-yl-4H-benzo[h]chromene-8-carboxylate Openeye Name: ethyl 2-amino-3-cyano-9-hydroxy-4-(3-pyridyl)-4H-benzo[h]chromene-8-carboxylate CAS Name: 2-amino-3-cyano-9-hydroxy-4-(3-pyridinyl)-4H-benzo[h][1]benzopyran-8-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-3-cyano-9-hydroxy-4-pyridin-3-yl-4H-benzo[h]chromene-8-carboxylate Traditional Name: 2-amino-3-cyano-9-hydroxy-4-(3-pyridyl)-4H-benzo[h]chromene-8-carboxylic acid ethyl ester Formula: C22H17N3O4 MolecularWeight: 387.38808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C2C(=C1)C=CC3=C2OC(=C(C3C4=CN=CC=C4)C#N)N)O

Isomeric SMILES

CCOC(=O)C1=C(C=C2C(=C1)C=CC3=C2OC(=C(C3C4=CN=CC=C4)C#N)N)O

InChI

InChI=1S/C22H17N3O4/c1-2-28-22(27)16-8-12-5-6-14-19(13-4-3-7-25-11-13)17(10-23)21(24)29-20(14)15(12)9-18(16)26/h3-9,11,19,26H,2,24H2,1H3