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

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-1-[(3-nitrophenyl)methyl]-6-oxidanylidene-pyridine-3-carboxamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-1-[(3-nitrophenyl)methyl]-6-oxo-pyridine-3-carboxamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-1-[(3-nitrophenyl)methyl]-6-oxo-3-pyridinecarboxamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide Traditional Name: 6-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=C(C=CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CN2C=C(C=CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

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