2-(1-adamantyl)-N-(4-methoxy-2-nitro-phenyl)pyridine-4-carboxamide

Systemtic Name: 2-(1-adamantyl)-N-(4-methoxy-2-nitro-phenyl)pyridine-4-carboxamide Openeye Name: 2-(1-adamantyl)-N-(4-methoxy-2-nitro-phenyl)pyridine-4-carboxamide CAS Name: 2-(1-adamantyl)-N-(4-methoxy-2-nitrophenyl)-4-pyridinecarboxamide IUPAC Name: 2-(1-adamantyl)-N-(4-methoxy-2-nitrophenyl)pyridine-4-carboxamide Traditional Name: 2-(1-adamantyl)-N-(4-methoxy-2-nitro-phenyl)isonicotinamide Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)C2=CC(=NC=C2)C34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)C2=CC(=NC=C2)C34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

InChI=1S/C23H25N3O4/c1-30-18-2-3-19(20(10-18)26(28)29)25-22(27)17-4-5-24-21(9-17)23-11-14-6-15(12-23)8-16(7-14)13-23/h2-5,9-10,14-16H,6-8,11-13H2,1H3,(H,25,27)