[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl] (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate

Systemtic Name: [2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl] (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate Openeye Name: [2-(isoxazol-3-ylamino)-2-oxo-ethyl] (E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoate CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-2-propenoic acid [2-(3-isoxazolylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] (E)-3-(4-chloro-3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)acrylic acid [2-(isoxazol-3-ylamino)-2-keto-ethyl] ester Formula: C14H10ClN3O6 MolecularWeight: 351.6987

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=CC(=O)OCC(=O)NC2=NOC=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1/C=C/C(=O)OCC(=O)NC2=NOC=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H10ClN3O6/c15-10-3-1-9(7-11(10)18(21)22)2-4-14(20)23-8-13(19)16-12-5-6-24-17-12/h1-7H,8H2,(H,16,17,19)/b4-2+