N-(1-adamantylmethyl)-4,5-dimethoxy-2-nitro-benzamide

Systemtic Name: N-(1-adamantylmethyl)-4,5-dimethoxy-2-nitro-benzamide Openeye Name: N-(1-adamantylmethyl)-4,5-dimethoxy-2-nitro-benzamide CAS Name: N-(1-adamantylmethyl)-4,5-dimethoxy-2-nitrobenzamide IUPAC Name: N-(1-adamantylmethyl)-4,5-dimethoxy-2-nitrobenzamide Traditional Name: N-(1-adamantylmethyl)-4,5-dimethoxy-2-nitro-benzamide Formula: C20H26N2O5 MolecularWeight: 374.43084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NCC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NCC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H26N2O5/c1-26-17-6-15(16(22(24)25)7-18(17)27-2)19(23)21-11-20-8-12-3-13(9-20)5-14(4-12)10-20/h6-7,12-14H,3-5,8-11H2,1-2H3,(H,21,23)