ethyl 5-oxidanylidene-2-[(phenylmethyl)amino]chromeno[4,3-b]pyridin-1-ium-3-carboxylate

Systemtic Name: ethyl 5-oxidanylidene-2-[(phenylmethyl)amino]chromeno[4,3-b]pyridin-1-ium-3-carboxylate Openeye Name: ethyl 2-(benzylamino)-5-oxo-chromeno[4,3-b]pyridin-1-ium-3-carboxylate CAS Name: 5-oxo-2-[(phenylmethyl)amino]-3-[1]benzopyrano[4,3-b]pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzylamino)-5-oxochromeno[4,3-b]pyridin-1-ium-3-carboxylate Traditional Name: 2-(benzylamino)-5-keto-chromeno[4,3-b]pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C22H19N2O4+ MolecularWeight: 375.39726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([NH+]=C2C3=CC=CC=C3OC(=O)C2=C1)NCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C([NH+]=C2C3=CC=CC=C3OC(=O)C2=C1)NCC4=CC=CC=C4

InChI

InChI=1S/C22H18N2O4/c1-2-27-21(25)17-12-16-19(15-10-6-7-11-18(15)28-22(16)26)24-20(17)23-13-14-8-4-3-5-9-14/h3-12H,2,13H2,1H3,(H,23,24)/p+1