1-(3-chloranyl-4-methyl-phenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: 1-(3-chloro-4-methyl-phenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: 1-(3-chloro-4-methylphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: 1-(3-chloro-4-methylphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide Traditional Name: 1-(3-chloro-4-methyl-phenyl)-5-keto-N-(6-nitro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide Formula: C19H15ClN4O4S MolecularWeight: 430.8648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H15ClN4O4S/c1-10-2-3-12(7-14(10)20)23-9-11(6-17(23)25)18(26)22-19-21-15-5-4-13(24(27)28)8-16(15)29-19/h2-5,7-8,11H,6,9H2,1H3,(H,21,22,26)