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

Systemtic Name: 1-(3,3-dimethyl-6-nitro-2-oxidanyl-1,2-dihydroinden-1-yl)-3-phenyl-urea Openeye Name: 1-(2-hydroxy-3,3-dimethyl-6-nitro-indan-1-yl)-3-phenyl-urea CAS Name: 1-(2-hydroxy-3,3-dimethyl-6-nitro-1,2-dihydroinden-1-yl)-3-phenylurea IUPAC Name: 1-(2-hydroxy-3,3-dimethyl-6-nitro-1,2-dihydroinden-1-yl)-3-phenylurea Traditional Name: 1-(2-hydroxy-3,3-dimethyl-6-nitro-indan-1-yl)-3-phenyl-urea Formula: C18H19N3O4 MolecularWeight: 341.36116

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C1C=CC(=C2)[N+](=O)[O-])NC(=O)NC3=CC=CC=C3)O)C

Isomeric SMILES

CC1(C(C(C2=C1C=CC(=C2)[N+](=O)[O-])NC(=O)NC3=CC=CC=C3)O)C

InChI

InChI=1S/C18H19N3O4/c1-18(2)14-9-8-12(21(24)25)10-13(14)15(16(18)22)20-17(23)19-11-6-4-3-5-7-11/h3-10,15-16,22H,1-2H3,(H2,19,20,23)