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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-1-[(3-nitrophenyl)methyl]-6-oxidanylidene-pyridine-3-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-1-[(3-nitrophenyl)methyl]-6-oxo-pyridine-3-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-1-[(3-nitrophenyl)methyl]-6-oxo-3-pyridinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-6-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=CN(C(=O)C=C3)CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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