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

Systemtic Name: 1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-3-(3-nitrophenyl)urea Openeye Name: 1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-3-(3-nitrophenyl)urea CAS Name: 1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-(3-nitrophenyl)urea IUPAC Name: 1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-(3-nitrophenyl)urea Traditional Name: 1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-3-(3-nitrophenyl)urea Formula: C19H21N3O5 MolecularWeight: 371.38714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O5/c1-12(2)18(13-6-7-16-17(10-13)27-9-8-26-16)21-19(23)20-14-4-3-5-15(11-14)22(24)25/h3-7,10-12,18H,8-9H2,1-2H3,(H2,20,21,23)/t18-/m0/s1