1-(4-chloranyl-3-nitro-phenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea

Systemtic Name: 1-(4-chloranyl-3-nitro-phenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea Openeye Name: 1-(4-chloro-3-nitro-phenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea CAS Name: 1-(4-chloro-3-nitrophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea IUPAC Name: 1-(4-chloro-3-nitrophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea Traditional Name: 1-(4-chloro-3-nitro-phenyl)-3-homoveratryl-urea Formula: C17H18ClN3O5 MolecularWeight: 379.79492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C17H18ClN3O5/c1-25-15-6-3-11(9-16(15)26-2)7-8-19-17(22)20-12-4-5-13(18)14(10-12)21(23)24/h3-6,9-10H,7-8H2,1-2H3,(H2,19,20,22)