N-[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[2-(1-adamantylmethylamino)-2-oxo-ethyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[2-(1-adamantylmethylamino)-2-oxoethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[2-(1-adamantylmethylamino)-2-oxoethyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[2-(1-adamantylmethylamino)-2-keto-ethyl]-4-methoxy-3-nitro-benzamide Formula: C21H27N3O5 MolecularWeight: 401.45618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5/c1-29-18-3-2-16(7-17(18)24(27)28)20(26)22-11-19(25)23-12-21-8-13-4-14(9-21)6-15(5-13)10-21/h2-3,7,13-15H,4-6,8-12H2,1H3,(H,22,26)(H,23,25)