1-[2-(1-adamantyl)ethanoylamino]-3-(2-methoxy-4-nitro-phenyl)urea

Systemtic Name: 1-[2-(1-adamantyl)ethanoylamino]-3-(2-methoxy-4-nitro-phenyl)urea Openeye Name: 1-[[2-(1-adamantyl)acetyl]amino]-3-(2-methoxy-4-nitro-phenyl)urea CAS Name: 1-[[2-(1-adamantyl)-1-oxoethyl]amino]-3-(2-methoxy-4-nitrophenyl)urea IUPAC Name: 1-[[2-(1-adamantyl)acetyl]amino]-3-(2-methoxy-4-nitrophenyl)urea Traditional Name: 1-[[2-(1-adamantyl)acetyl]amino]-3-(2-methoxy-4-nitro-phenyl)urea Formula: C20H26N4O5 MolecularWeight: 402.44424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)NNC(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)NNC(=O)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H26N4O5/c1-29-17-7-15(24(27)28)2-3-16(17)21-19(26)23-22-18(25)11-20-8-12-4-13(9-20)6-14(5-12)10-20/h2-3,7,12-14H,4-6,8-11H2,1H3,(H,22,25)(H2,21,23,26)