2-(1-adamantyl)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]acetamide CAS Name: 2-(1-adamantyl)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]acetamide Traditional Name: 2-(1-adamantyl)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]acetamide Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NN=CC4=CC5=C(C=C4[N+](=O)[O-])OCO5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)N/N=C/C4=CC5=C(C=C4[N+](=O)[O-])OCO5

InChI

InChI=1S/C20H23N3O5/c24-19(9-20-6-12-1-13(7-20)3-14(2-12)8-20)22-21-10-15-4-17-18(28-11-27-17)5-16(15)23(25)26/h4-5,10,12-14H,1-3,6-9,11H2,(H,22,24)/b21-10+