ethyl 1-(1,3-benzothiazol-2-yl)-7-chloranyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 1-(1,3-benzothiazol-2-yl)-7-chloranyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-(1,3-benzothiazol-2-yl)-7-chloro-6-nitro-4-oxo-quinoline-3-carboxylate CAS Name: 1-(1,3-benzothiazol-2-yl)-7-chloro-6-nitro-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1,3-benzothiazol-2-yl)-7-chloro-6-nitro-4-oxoquinoline-3-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-yl)-7-chloro-4-keto-6-nitro-quinoline-3-carboxylic acid ethyl ester Formula: C19H12ClN3O5S MolecularWeight: 429.83368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)[N+](=O)[O-])Cl)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)[N+](=O)[O-])Cl)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H12ClN3O5S/c1-2-28-18(25)11-9-22(19-21-13-5-3-4-6-16(13)29-19)14-8-12(20)15(23(26)27)7-10(14)17(11)24/h3-9H,2H2,1H3