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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-1-[(3-nitrophenyl)methyl]-2-oxidanylidene-pyridine-3-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-1-[(3-nitrophenyl)methyl]-2-oxo-pyridine-3-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-1-[(3-nitrophenyl)methyl]-2-oxo-3-pyridinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-keto-1-(3-nitrobenzyl)nicotinamide Formula: C20H14N4O4S MolecularWeight: 406.41456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)C3=CC=CN(C3=O)CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)C3=CC=CN(C3=O)CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H14N4O4S/c25-18(22-20-21-16-8-1-2-9-17(16)29-20)15-7-4-10-23(19(15)26)12-13-5-3-6-14(11-13)24(27)28/h1-11H,12H2,(H,21,22,25)