1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(3-nitrophenyl)urea

Systemtic Name: 1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(3-nitrophenyl)urea Openeye Name: 1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(3-nitrophenyl)urea CAS Name: 1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(3-nitrophenyl)urea IUPAC Name: 1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(3-nitrophenyl)urea Traditional Name: 1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(3-nitrophenyl)urea Formula: C17H17N3O5 MolecularWeight: 343.33398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCO2)NC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OCCO2)NC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O5/c1-11(12-5-6-15-16(9-12)25-8-7-24-15)18-17(21)19-13-3-2-4-14(10-13)20(22)23/h2-6,9-11H,7-8H2,1H3,(H2,18,19,21)/t11-/m0/s1