ethyl 4-azanyl-6-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]quinoline-3-carboxylate

Systemtic Name: ethyl 4-azanyl-6-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]quinoline-3-carboxylate Openeye Name: ethyl 4-amino-6-[[2-(1,3-dioxoisoindolin-2-yl)acetyl]amino]quinoline-3-carboxylate CAS Name: 4-amino-6-[[2-(1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-6-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]quinoline-3-carboxylate Traditional Name: 4-amino-6-[(2-phthalimidoacetyl)amino]quinoline-3-carboxylic acid ethyl ester Formula: C22H18N4O5 MolecularWeight: 418.40212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=CC(=CC2=C1N)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCOC(=O)C1=CN=C2C=CC(=CC2=C1N)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H18N4O5/c1-2-31-22(30)16-10-24-17-8-7-12(9-15(17)19(16)23)25-18(27)11-26-20(28)13-5-3-4-6-14(13)21(26)29/h3-10H,2,11H2,1H3,(H2,23,24)(H,25,27)