1-(3,3-dimethyl-6-nitro-2-oxidanyl-1,2-dihydroinden-1-yl)-3-(phenylmethyl)urea

Systemtic Name: 1-(3,3-dimethyl-6-nitro-2-oxidanyl-1,2-dihydroinden-1-yl)-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-(2-hydroxy-3,3-dimethyl-6-nitro-indan-1-yl)urea CAS Name: 1-(2-hydroxy-3,3-dimethyl-6-nitro-1,2-dihydroinden-1-yl)-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-(2-hydroxy-3,3-dimethyl-6-nitro-1,2-dihydroinden-1-yl)urea Traditional Name: 1-benzyl-3-(2-hydroxy-3,3-dimethyl-6-nitro-indan-1-yl)urea Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C1C=CC(=C2)[N+](=O)[O-])NC(=O)NCC3=CC=CC=C3)O)C

Isomeric SMILES

CC1(C(C(C2=C1C=CC(=C2)[N+](=O)[O-])NC(=O)NCC3=CC=CC=C3)O)C

InChI

InChI=1S/C19H21N3O4/c1-19(2)15-9-8-13(22(25)26)10-14(15)16(17(19)23)21-18(24)20-11-12-6-4-3-5-7-12/h3-10,16-17,23H,11H2,1-2H3,(H2,20,21,24)