1-(2-methyl-5-nitro-phenyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea Openeye Name: 1-[(4-isopropoxyphenyl)methyl]-3-(2-methyl-5-nitro-phenyl)urea CAS Name: 1-(2-methyl-5-nitrophenyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea IUPAC Name: 1-(2-methyl-5-nitrophenyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea Traditional Name: 1-(4-isopropoxybenzyl)-3-(2-methyl-5-nitro-phenyl)urea Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)NCC2=CC=C(C=C2)OC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)NCC2=CC=C(C=C2)OC(C)C

InChI

InChI=1S/C18H21N3O4/c1-12(2)25-16-8-5-14(6-9-16)11-19-18(22)20-17-10-15(21(23)24)7-4-13(17)3/h4-10,12H,11H2,1-3H3,(H2,19,20,22)