1-[(2-chlorophenyl)methyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-2-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: 1-[(2-chlorophenyl)methyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-2-oxidanylidene-pyridine-3-carboxamide Openeye Name: 1-[(2-chlorophenyl)methyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-2-oxo-pyridine-3-carboxamide CAS Name: 1-[(2-chlorophenyl)methyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-2-oxo-3-pyridinecarboxamide IUPAC Name: 1-[(2-chlorophenyl)methyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-2-oxopyridine-3-carboxamide Traditional Name: 1-(2-chlorobenzyl)-2-keto-N-(6-nitro-1,3-benzothiazol-2-yl)nicotinamide Formula: C20H13ClN4O4S MolecularWeight: 440.85962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C=CC=C(C2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)CN2C=CC=C(C2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H13ClN4O4S/c21-15-6-2-1-4-12(15)11-24-9-3-5-14(19(24)27)18(26)23-20-22-16-8-7-13(25(28)29)10-17(16)30-20/h1-10H,11H2,(H,22,23,26)