1-[(2S)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea

Systemtic Name: 1-[(2S)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea Openeye Name: 1-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-[1-(3-isopropenylphenyl)-1-methyl-ethyl]urea CAS Name: 1-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-[2-[3-(1-methylethenyl)phenyl]propan-2-yl]urea IUPAC Name: 1-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea Traditional Name: 1-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-[1-(3-isopropenylphenyl)-1-methyl-ethyl]urea Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)NC[C@H](C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C21H25N3O4/c1-14(2)16-6-5-7-17(12-16)21(3,4)23-20(26)22-13-19(25)15-8-10-18(11-9-15)24(27)28/h5-12,19,25H,1,13H2,2-4H3,(H2,22,23,26)/t19-/m1/s1