1-[(E)-[2-[2-(4-tert-butylphenoxy)ethoxy]-5-nitro-phenyl]methylideneamino]urea

Systemtic Name: 1-[(E)-[2-[2-(4-tert-butylphenoxy)ethoxy]-5-nitro-phenyl]methylideneamino]urea Openeye Name: [(E)-[2-[2-(4-tert-butylphenoxy)ethoxy]-5-nitro-phenyl]methyleneamino]urea CAS Name: [(E)-[2-[2-(4-tert-butylphenoxy)ethoxy]-5-nitrophenyl]methylideneamino]urea IUPAC Name: [(E)-[2-[2-(4-tert-butylphenoxy)ethoxy]-5-nitrophenyl]methylideneamino]urea Traditional Name: [(E)-[2-[2-(4-tert-butylphenoxy)ethoxy]-5-nitro-benzylidene]amino]urea Formula: C20H24N4O5 MolecularWeight: 400.42836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCOC2=C(C=C(C=C2)[N+](=O)[O-])C=NNC(=O)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCOC2=C(C=C(C=C2)[N+](=O)[O-])/C=N/NC(=O)N

InChI

InChI=1S/C20H24N4O5/c1-20(2,3)15-4-7-17(8-5-15)28-10-11-29-18-9-6-16(24(26)27)12-14(18)13-22-23-19(21)25/h4-9,12-13H,10-11H2,1-3H3,(H3,21,23,25)/b22-13+