3-(4-methyl-3-nitro-phenyl)-1-(phenylmethyl)-1-propan-2-yl-urea

Systemtic Name: 3-(4-methyl-3-nitro-phenyl)-1-(phenylmethyl)-1-propan-2-yl-urea Openeye Name: 1-benzyl-1-isopropyl-3-(4-methyl-3-nitro-phenyl)urea CAS Name: 3-(4-methyl-3-nitrophenyl)-1-(phenylmethyl)-1-propan-2-ylurea IUPAC Name: 1-benzyl-3-(4-methyl-3-nitrophenyl)-1-propan-2-ylurea Traditional Name: 1-benzyl-1-isopropyl-3-(4-methyl-3-nitro-phenyl)urea Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)N(CC2=CC=CC=C2)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)N(CC2=CC=CC=C2)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O3/c1-13(2)20(12-15-7-5-4-6-8-15)18(22)19-16-10-9-14(3)17(11-16)21(23)24/h4-11,13H,12H2,1-3H3,(H,19,22)