N-[3-(2-adamantylamino)-3-oxidanylidene-propyl]-4-nitro-benzamide

Systemtic Name: N-[3-(2-adamantylamino)-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-(2-adamantylamino)-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-(2-adamantylamino)-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-(2-adamantylamino)-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-(2-adamantylamino)-3-keto-propyl]-4-nitro-benzamide Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)CCNC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)CCNC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O4/c24-18(22-19-15-8-12-7-13(10-15)11-16(19)9-12)5-6-21-20(25)14-1-3-17(4-2-14)23(26)27/h1-4,12-13,15-16,19H,5-11H2,(H,21,25)(H,22,24)