ethyl 7-[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-1-methyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 7-[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-1-methyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 7-[4-(5-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-1-methyl-6-nitro-4-oxo-quinoline-3-carboxylate CAS Name: 7-[4-(5-chloro-1,3-benzothiazol-2-yl)-1-piperazinyl]-1-methyl-6-nitro-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-[4-(5-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-1-methyl-6-nitro-4-oxoquinoline-3-carboxylate Traditional Name: 7-[4-(5-chloro-1,3-benzothiazol-2-yl)piperazino]-4-keto-1-methyl-6-nitro-quinoline-3-carboxylic acid ethyl ester Formula: C24H22ClN5O5S MolecularWeight: 527.97998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)[N+](=O)[O-])N3CCN(CC3)C4=NC5=C(S4)C=CC(=C5)Cl)C

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)[N+](=O)[O-])N3CCN(CC3)C4=NC5=C(S4)C=CC(=C5)Cl)C

InChI

InChI=1S/C24H22ClN5O5S/c1-3-35-23(32)16-13-27(2)18-12-19(20(30(33)34)11-15(18)22(16)31)28-6-8-29(9-7-28)24-26-17-10-14(25)4-5-21(17)36-24/h4-5,10-13H,3,6-9H2,1-2H3