N-(1-adamantylmethyl)-2-(2-methoxyethylamino)-5-nitro-benzamide

Systemtic Name: N-(1-adamantylmethyl)-2-(2-methoxyethylamino)-5-nitro-benzamide Openeye Name: N-(1-adamantylmethyl)-2-(2-methoxyethylamino)-5-nitro-benzamide CAS Name: N-(1-adamantylmethyl)-2-(2-methoxyethylamino)-5-nitrobenzamide IUPAC Name: N-(1-adamantylmethyl)-2-(2-methoxyethylamino)-5-nitrobenzamide Traditional Name: N-(1-adamantylmethyl)-2-(2-methoxyethylamino)-5-nitro-benzamide Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H29N3O4/c1-28-5-4-22-19-3-2-17(24(26)27)9-18(19)20(25)23-13-21-10-14-6-15(11-21)8-16(7-14)12-21/h2-3,9,14-16,22H,4-8,10-13H2,1H3,(H,23,25)