1-[1-[(2-methylpropan-2-yl)oxy]-6-nitro-2-oxidanyl-2,3-dihydroinden-1-yl]urea

Systemtic Name: 1-[1-[(2-methylpropan-2-yl)oxy]-6-nitro-2-oxidanyl-2,3-dihydroinden-1-yl]urea Openeye Name: (1-tert-butoxy-2-hydroxy-6-nitro-indan-1-yl)urea CAS Name: [2-hydroxy-1-[(2-methylpropan-2-yl)oxy]-6-nitro-2,3-dihydroinden-1-yl]urea IUPAC Name: [2-hydroxy-1-[(2-methylpropan-2-yl)oxy]-6-nitro-2,3-dihydroinden-1-yl]urea Traditional Name: (1-tert-butoxy-2-hydroxy-6-nitro-indan-1-yl)urea Formula: C14H19N3O5 MolecularWeight: 309.31776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1(C(CC2=C1C=C(C=C2)[N+](=O)[O-])O)NC(=O)N

Isomeric SMILES

CC(C)(C)OC1(C(CC2=C1C=C(C=C2)[N+](=O)[O-])O)NC(=O)N

InChI

InChI=1S/C14H19N3O5/c1-13(2,3)22-14(16-12(15)19)10-7-9(17(20)21)5-4-8(10)6-11(14)18/h4-5,7,11,18H,6H2,1-3H3,(H3,15,16,19)