[2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl] 1-ethyl-7-methyl-4-oxidanylidene-4aH-1,8-naphthyridin-1-ium-3-carboxylate

Systemtic Name: [2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl] 1-ethyl-7-methyl-4-oxidanylidene-4aH-1,8-naphthyridin-1-ium-3-carboxylate Openeye Name: [2-(4-iodoanilino)-2-oxo-ethyl] 1-ethyl-7-methyl-4-oxo-4aH-1,8-naphthyridin-1-ium-3-carboxylate CAS Name: 1-ethyl-7-methyl-4-oxo-4aH-1,8-naphthyridin-1-ium-3-carboxylic acid [2-(4-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-iodoanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-4aH-1,8-naphthyridin-1-ium-3-carboxylate Traditional Name: 1-ethyl-4-keto-7-methyl-4aH-1,8-naphthyridin-1-ium-3-carboxylic acid [2-(4-iodoanilino)-2-keto-ethyl] ester Formula: C20H19IN3O4+ MolecularWeight: 492.28703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C2C(C=CC(=N2)C)C(=O)C(=C1)C(=O)OCC(=O)NC3=CC=C(C=C3)I

Isomeric SMILES

CC[N+]1=C2C(C=CC(=N2)C)C(=O)C(=C1)C(=O)OCC(=O)NC3=CC=C(C=C3)I

InChI

InChI=1S/C20H18IN3O4/c1-3-24-10-16(18(26)15-9-4-12(2)22-19(15)24)20(27)28-11-17(25)23-14-7-5-13(21)6-8-14/h4-10,15H,3,11H2,1-2H3/p+1