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

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-1-[(3-nitrophenyl)methyl]-2-oxidanylidene-pyridine-3-carboxamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-1-[(3-nitrophenyl)methyl]-2-oxo-pyridine-3-carboxamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-1-[(3-nitrophenyl)methyl]-2-oxo-3-pyridinecarboxamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide Traditional Name: 2-keto-N-(6-nitro-1,3-benzothiazol-2-yl)-1-(3-nitrobenzyl)nicotinamide Formula: C20H13N5O6S MolecularWeight: 451.41212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13N5O6S/c26-18(22-20-21-16-7-6-14(25(30)31)10-17(16)32-20)15-5-2-8-23(19(15)27)11-12-3-1-4-13(9-12)24(28)29/h1-10H,11H2,(H,21,22,26)