ethyl 4-(3-isocyano-2-oxidanylidene-1H-quinolin-6-yl)-2,5,6-trimethyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 4-(3-isocyano-2-oxidanylidene-1H-quinolin-6-yl)-2,5,6-trimethyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 4-(3-isocyano-2-oxo-1H-quinolin-6-yl)-2,5,6-trimethyl-1,4-dihydropyridine-3-carboxylate CAS Name: 4-(3-isocyano-2-oxo-1H-quinolin-6-yl)-2,5,6-trimethyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-isocyano-2-oxo-1H-quinolin-6-yl)-2,5,6-trimethyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(3-isocyano-2-keto-1H-quinolin-6-yl)-2,5,6-trimethyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC3=C(C=C2)NC(=O)C(=C3)[N+]#[C-])C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC3=C(C=C2)NC(=O)C(=C3)[N+]#[C-])C)C)C

InChI

InChI=1S/C21H21N3O3/c1-6-27-21(26)19-13(4)23-12(3)11(2)18(19)14-7-8-16-15(9-14)10-17(22-5)20(25)24-16/h7-10,18,23H,6H2,1-4H3,(H,24,25)