5-(1-adamantyl)-N-[(E)-(3-nitrophenyl)methylideneamino]-1H-pyrazole-3-carboxamide

Systemtic Name: 5-(1-adamantyl)-N-[(E)-(3-nitrophenyl)methylideneamino]-1H-pyrazole-3-carboxamide Openeye Name: 5-(1-adamantyl)-N-[(E)-(3-nitrophenyl)methyleneamino]-1H-pyrazole-3-carboxamide CAS Name: 5-(1-adamantyl)-N-[(E)-(3-nitrophenyl)methylideneamino]-1H-pyrazole-3-carboxamide IUPAC Name: 5-(1-adamantyl)-N-[(E)-(3-nitrophenyl)methylideneamino]-1H-pyrazole-3-carboxamide Traditional Name: 5-(1-adamantyl)-N-[(E)-(3-nitrobenzylidene)amino]-1H-pyrazole-3-carboxamide Formula: C21H23N5O3 MolecularWeight: 393.43902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC(=NN4)C(=O)NN=CC5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC(=NN4)C(=O)N/N=C/C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O3/c27-20(25-22-12-13-2-1-3-17(7-13)26(28)29)18-8-19(24-23-18)21-9-14-4-15(10-21)6-16(5-14)11-21/h1-3,7-8,12,14-16H,4-6,9-11H2,(H,23,24)(H,25,27)/b22-12+