methyl 3-azanyl-5-chloranyl-7,8-dimethyl-6-oxidanylidene-2H-cinnoline-4-carboxylate

Systemtic Name: methyl 3-azanyl-5-chloranyl-7,8-dimethyl-6-oxidanylidene-2H-cinnoline-4-carboxylate Openeye Name: methyl 3-amino-5-chloro-7,8-dimethyl-6-oxo-2H-cinnoline-4-carboxylate CAS Name: 3-amino-5-chloro-7,8-dimethyl-6-oxo-2H-cinnoline-4-carboxylic acid methyl ester IUPAC Name: methyl 3-amino-5-chloro-7,8-dimethyl-6-oxo-2H-cinnoline-4-carboxylate Traditional Name: 3-amino-5-chloro-6-keto-7,8-dimethyl-2H-cinnoline-4-carboxylic acid methyl ester Formula: C12H12ClN3O3 MolecularWeight: 281.69498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C2C1=NNC(=C2C(=O)OC)N)Cl)C

Isomeric SMILES

CC1=C(C(=O)C(=C2C1=NNC(=C2C(=O)OC)N)Cl)C

InChI

InChI=1S/C12H12ClN3O3/c1-4-5(2)10(17)8(13)6-7(12(18)19-3)11(14)16-15-9(4)6/h16H,14H2,1-3H3