N-(1-adamantyl)-4-(2-methoxyethylamino)-3-nitro-benzamide

Systemtic Name: N-(1-adamantyl)-4-(2-methoxyethylamino)-3-nitro-benzamide Openeye Name: N-(1-adamantyl)-4-(2-methoxyethylamino)-3-nitro-benzamide CAS Name: N-(1-adamantyl)-4-(2-methoxyethylamino)-3-nitrobenzamide IUPAC Name: N-(1-adamantyl)-4-(2-methoxyethylamino)-3-nitrobenzamide Traditional Name: N-(1-adamantyl)-4-(2-methoxyethylamino)-3-nitro-benzamide Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)C(=O)NC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

Isomeric SMILES

COCCNC1=C(C=C(C=C1)C(=O)NC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

InChI

InChI=1S/C20H27N3O4/c1-27-5-4-21-17-3-2-16(9-18(17)23(25)26)19(24)22-20-10-13-6-14(11-20)8-15(7-13)12-20/h2-3,9,13-15,21H,4-8,10-12H2,1H3,(H,22,24)