3-(3-azanyl-5-chloranyl-2,6-diethyl-phenyl)-1-(4-ethylphenyl)-1-(2-nitro-1-phenyl-ethyl)urea

Systemtic Name: 3-(3-azanyl-5-chloranyl-2,6-diethyl-phenyl)-1-(4-ethylphenyl)-1-(2-nitro-1-phenyl-ethyl)urea Openeye Name: 3-(3-amino-5-chloro-2,6-diethyl-phenyl)-1-(4-ethylphenyl)-1-(2-nitro-1-phenyl-ethyl)urea CAS Name: 3-(3-amino-5-chloro-2,6-diethylphenyl)-1-(4-ethylphenyl)-1-(2-nitro-1-phenylethyl)urea IUPAC Name: 3-(3-amino-5-chloro-2,6-diethylphenyl)-1-(4-ethylphenyl)-1-(2-nitro-1-phenylethyl)urea Traditional Name: 3-(3-amino-5-chloro-2,6-diethyl-phenyl)-1-(4-ethylphenyl)-1-(2-nitro-1-phenyl-ethyl)urea Formula: C27H31ClN4O3 MolecularWeight: 495.01304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N(C(C[N+](=O)[O-])C2=CC=CC=C2)C(=O)NC3=C(C(=CC(=C3CC)Cl)N)CC

Isomeric SMILES

CCC1=CC=C(C=C1)N(C(C[N+](=O)[O-])C2=CC=CC=C2)C(=O)NC3=C(C(=CC(=C3CC)Cl)N)CC

InChI

InChI=1S/C27H31ClN4O3/c1-4-18-12-14-20(15-13-18)32(25(17-31(34)35)19-10-8-7-9-11-19)27(33)30-26-21(5-2)23(28)16-24(29)22(26)6-3/h7-16,25H,4-6,17,29H2,1-3H3,(H,30,33)