[1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate

Systemtic Name: [1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate Openeye Name: (1-methyl-2-oxo-2-ureido-ethyl) (E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoate CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-2-propenoic acid [1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-1-oxopropan-2-yl] (E)-3-(4-chloro-3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)acrylic acid (2-keto-1-methyl-2-ureido-ethyl) ester Formula: C13H12ClN3O6 MolecularWeight: 341.70388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)N)OC(=O)C=CC1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClN3O6/c1-7(12(19)16-13(15)20)23-11(18)5-3-8-2-4-9(14)10(6-8)17(21)22/h2-7H,1H3,(H3,15,16,19,20)/b5-3+