N-(1-adamantyl)-3-nitro-4-[(phenylmethyl)amino]benzamide

Systemtic Name: N-(1-adamantyl)-3-nitro-4-[(phenylmethyl)amino]benzamide Openeye Name: N-(1-adamantyl)-4-(benzylamino)-3-nitro-benzamide CAS Name: N-(1-adamantyl)-3-nitro-4-[(phenylmethyl)amino]benzamide IUPAC Name: N-(1-adamantyl)-4-(benzylamino)-3-nitrobenzamide Traditional Name: N-(1-adamantyl)-4-(benzylamino)-3-nitro-benzamide Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC(=C(C=C4)NCC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC(=C(C=C4)NCC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H27N3O3/c28-23(26-24-12-17-8-18(13-24)10-19(9-17)14-24)20-6-7-21(22(11-20)27(29)30)25-15-16-4-2-1-3-5-16/h1-7,11,17-19,25H,8-10,12-15H2,(H,26,28)