1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(4-methoxy-2-nitro-phenyl)urea

Systemtic Name: 1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(4-methoxy-2-nitro-phenyl)urea Openeye Name: 1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(4-methoxy-2-nitro-phenyl)urea CAS Name: 1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(4-methoxy-2-nitrophenyl)urea IUPAC Name: 1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(4-methoxy-2-nitrophenyl)urea Traditional Name: 1-homopiperonyl-3-(4-methoxy-2-nitro-phenyl)urea Formula: C17H17N3O6 MolecularWeight: 359.33338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)NCCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)NCCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O6/c1-24-12-3-4-13(14(9-12)20(22)23)19-17(21)18-7-6-11-2-5-15-16(8-11)26-10-25-15/h2-5,8-9H,6-7,10H2,1H3,(H2,18,19,21)