1-(1,3-benzodioxol-5-yl)-3-(2-methyl-3-nitro-phenyl)urea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(2-methyl-3-nitro-phenyl)urea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(2-methyl-3-nitro-phenyl)urea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-(2-methyl-3-nitrophenyl)urea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(2-methyl-3-nitrophenyl)urea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(2-methyl-3-nitro-phenyl)urea Formula: C15H13N3O5 MolecularWeight: 315.28082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H13N3O5/c1-9-11(3-2-4-12(9)18(20)21)17-15(19)16-10-5-6-13-14(7-10)23-8-22-13/h2-7H,8H2,1H3,(H2,16,17,19)