methyl 1-[[7-chloranyl-1,4,10-tris(oxidanylidene)-3,5-dihydropyridazino[4,5-b]quinolin-2-yl]methyl]cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: methyl 1-[[7-chloranyl-1,4,10-tris(oxidanylidene)-3,5-dihydropyridazino[4,5-b]quinolin-2-yl]methyl]cyclohexa-2,4-diene-1-carboxylate Openeye Name: methyl 1-[(7-chloro-1,4,10-trioxo-3,5-dihydropyridazino[4,5-b]quinolin-2-yl)methyl]cyclohexa-2,4-diene-1-carboxylate CAS Name: 1-[(7-chloro-1,4,10-trioxo-3,5-dihydropyridazino[4,5-b]quinolin-2-yl)methyl]-1-cyclohexa-2,4-dienecarboxylic acid methyl ester IUPAC Name: methyl 1-[(7-chloro-1,4,10-trioxo-3,5-dihydropyridazino[4,5-b]quinolin-2-yl)methyl]cyclohexa-2,4-diene-1-carboxylate Traditional Name: 1-[(7-chloro-1,4,10-triketo-3,5-dihydropyridazino[4,5-b]quinolin-2-yl)methyl]cyclohexa-2,4-diene-1-carboxylic acid methyl ester Formula: C20H16ClN3O5 MolecularWeight: 413.81114

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC=CC=C1)CN2C(=O)C3=C(C(=O)N2)NC4=C(C3=O)C=CC(=C4)Cl

Isomeric SMILES

COC(=O)C1(CC=CC=C1)CN2C(=O)C3=C(C(=O)N2)NC4=C(C3=O)C=CC(=C4)Cl

InChI

InChI=1S/C20H16ClN3O5/c1-29-19(28)20(7-3-2-4-8-20)10-24-18(27)14-15(17(26)23-24)22-13-9-11(21)5-6-12(13)16(14)25/h2-7,9H,8,10H2,1H3,(H,22,25)(H,23,26)