N-(1-adamantyl)-N-[(3-methoxyphenyl)methyl]-2-(5-nitro-2-oxidanylidene-pyridin-1-yl)ethanamide

Systemtic Name: N-(1-adamantyl)-N-[(3-methoxyphenyl)methyl]-2-(5-nitro-2-oxidanylidene-pyridin-1-yl)ethanamide Openeye Name: N-(1-adamantyl)-N-[(3-methoxyphenyl)methyl]-2-(5-nitro-2-oxo-1-pyridyl)acetamide CAS Name: N-(1-adamantyl)-N-[(3-methoxyphenyl)methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide IUPAC Name: N-(1-adamantyl)-N-[(3-methoxyphenyl)methyl]-2-(5-nitro-2-oxopyridin-1-yl)acetamide Traditional Name: N-(1-adamantyl)-2-(2-keto-5-nitro-1-pyridyl)-N-m-anisyl-acetamide Formula: C25H29N3O5 MolecularWeight: 451.51486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN(C(=O)CN2C=C(C=CC2=O)[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=CC(=C1)CN(C(=O)CN2C=C(C=CC2=O)[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H29N3O5/c1-33-22-4-2-3-17(10-22)14-27(25-11-18-7-19(12-25)9-20(8-18)13-25)24(30)16-26-15-21(28(31)32)5-6-23(26)29/h2-6,10,15,18-20H,7-9,11-14,16H2,1H3