N-(6-nitro-1,3-benzothiazol-2-yl)-1-[(4-nitrophenyl)methyl]-6-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-1-[(4-nitrophenyl)methyl]-6-oxidanylidene-pyridine-3-carboxamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-1-[(4-nitrophenyl)methyl]-6-oxo-pyridine-3-carboxamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-1-[(4-nitrophenyl)methyl]-6-oxo-3-pyridinecarboxamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide Traditional Name: 6-keto-N-(6-nitro-1,3-benzothiazol-2-yl)-1-(4-nitrobenzyl)nicotinamide Formula: C20H13N5O6S MolecularWeight: 451.41212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=C(C=CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CN2C=C(C=CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

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