N-(1-adamantylmethyl)-4-(ethylamino)-3-nitro-benzamide

Systemtic Name: N-(1-adamantylmethyl)-4-(ethylamino)-3-nitro-benzamide Openeye Name: N-(1-adamantylmethyl)-4-(ethylamino)-3-nitro-benzamide CAS Name: N-(1-adamantylmethyl)-4-(ethylamino)-3-nitrobenzamide IUPAC Name: N-(1-adamantylmethyl)-4-(ethylamino)-3-nitrobenzamide Traditional Name: N-(1-adamantylmethyl)-4-(ethylamino)-3-nitro-benzamide Formula: C20H27N3O3 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C(=O)NCC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=O)NCC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

InChI

InChI=1S/C20H27N3O3/c1-2-21-17-4-3-16(8-18(17)23(25)26)19(24)22-12-20-9-13-5-14(10-20)7-15(6-13)11-20/h3-4,8,13-15,21H,2,5-7,9-12H2,1H3,(H,22,24)