ethyl 5-ethyl-8-phenylazanyl-[1,3]dioxolo[4,5-g]quinolin-5-ium-7-carboxylate

Systemtic Name: ethyl 5-ethyl-8-phenylazanyl-[1,3]dioxolo[4,5-g]quinolin-5-ium-7-carboxylate Openeye Name: ethyl 8-anilino-5-ethyl-[1,3]dioxolo[4,5-g]quinolin-5-ium-7-carboxylate CAS Name: 8-anilino-5-ethyl-[1,3]dioxolo[4,5-g]quinolin-5-ium-7-carboxylic acid ethyl ester IUPAC Name: ethyl 8-anilino-5-ethyl-[1,3]dioxolo[4,5-g]quinolin-5-ium-7-carboxylate Traditional Name: 8-anilino-5-ethyl-[1,3]dioxolo[4,5-g]quinolin-5-ium-7-carboxylic acid ethyl ester Formula: C21H21N2O4+ MolecularWeight: 365.40244

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC(=C(C2=CC3=C(C=C21)OCO3)NC4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CC[N+]1=CC(=C(C2=CC3=C(C=C21)OCO3)NC4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C21H20N2O4/c1-3-23-12-16(21(24)25-4-2)20(22-14-8-6-5-7-9-14)15-10-18-19(11-17(15)23)27-13-26-18/h5-12H,3-4,13H2,1-2H3/p+1