1-(1-adamantyl)-3-[[(2R)-2-(3-methyl-4-nitro-phenoxy)propanoyl]amino]urea

Systemtic Name: 1-(1-adamantyl)-3-[[(2R)-2-(3-methyl-4-nitro-phenoxy)propanoyl]amino]urea Openeye Name: 1-(1-adamantyl)-3-[[(2R)-2-(3-methyl-4-nitro-phenoxy)propanoyl]amino]urea CAS Name: 1-(1-adamantyl)-3-[[(2R)-2-(3-methyl-4-nitrophenoxy)-1-oxopropyl]amino]urea IUPAC Name: 1-(1-adamantyl)-3-[[(2R)-2-(3-methyl-4-nitrophenoxy)propanoyl]amino]urea Traditional Name: 1-(1-adamantyl)-3-[[(2R)-2-(3-methyl-4-nitro-phenoxy)propanoyl]amino]urea Formula: C21H28N4O5 MolecularWeight: 416.47082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(C)C(=O)NNC(=O)NC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)O[C@H](C)C(=O)NNC(=O)NC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

InChI

InChI=1S/C21H28N4O5/c1-12-5-17(3-4-18(12)25(28)29)30-13(2)19(26)23-24-20(27)22-21-9-14-6-15(10-21)8-16(7-14)11-21/h3-5,13-16H,6-11H2,1-2H3,(H,23,26)(H2,22,24,27)/t13-,14?,15?,16?,21?/m1/s1