1-methyl-3-[(1S)-2-nitro-3-oxidanyl-1-(3,4,5-trimethoxyphenyl)but-2-enyl]urea

Systemtic Name: 1-methyl-3-[(1S)-2-nitro-3-oxidanyl-1-(3,4,5-trimethoxyphenyl)but-2-enyl]urea Openeye Name: 1-[(1S)-3-hydroxy-2-nitro-1-(3,4,5-trimethoxyphenyl)but-2-enyl]-3-methyl-urea CAS Name: 1-[(1S)-3-hydroxy-2-nitro-1-(3,4,5-trimethoxyphenyl)but-2-enyl]-3-methylurea IUPAC Name: 1-[(1S)-3-hydroxy-2-nitro-1-(3,4,5-trimethoxyphenyl)but-2-enyl]-3-methylurea Traditional Name: 1-[(1S)-3-hydroxy-2-nitro-1-(3,4,5-trimethoxyphenyl)but-2-enyl]-3-methyl-urea Formula: C15H21N3O7 MolecularWeight: 355.34314

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(C1=CC(=C(C(=C1)OC)OC)OC)NC(=O)NC)[N+](=O)[O-])O

Isomeric SMILES

CC(=C([C@H](C1=CC(=C(C(=C1)OC)OC)OC)NC(=O)NC)[N+](=O)[O-])O

InChI

InChI=1S/C15H21N3O7/c1-8(19)13(18(21)22)12(17-15(20)16-2)9-6-10(23-3)14(25-5)11(7-9)24-4/h6-7,12,19H,1-5H3,(H2,16,17,20)/t12-/m0/s1