N-(5-methoxy-1,3-benzothiazol-2-yl)-3,5-dinitro-N-(pyridin-2-ylmethyl)benzamide

Systemtic Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-3,5-dinitro-N-(pyridin-2-ylmethyl)benzamide Openeye Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-3,5-dinitro-N-(2-pyridylmethyl)benzamide CAS Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-3,5-dinitro-N-(2-pyridinylmethyl)benzamide IUPAC Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-3,5-dinitro-N-(pyridin-2-ylmethyl)benzamide Traditional Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-3,5-dinitro-N-(2-pyridylmethyl)benzamide Formula: C21H15N5O6S MolecularWeight: 465.4387

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H15N5O6S/c1-32-17-5-6-19-18(11-17)23-21(33-19)24(12-14-4-2-3-7-22-14)20(27)13-8-15(25(28)29)10-16(9-13)26(30)31/h2-11H,12H2,1H3