[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl] (E)-3-(3-nitrophenyl)prop-2-enoate

Systemtic Name: [2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl] (E)-3-(3-nitrophenyl)prop-2-enoate Openeye Name: [2-(isoxazol-3-ylamino)-2-oxo-ethyl] (E)-3-(3-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(3-nitrophenyl)-2-propenoic acid [2-(3-isoxazolylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] (E)-3-(3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(3-nitrophenyl)acrylic acid [2-(isoxazol-3-ylamino)-2-keto-ethyl] ester Formula: C14H11N3O6 MolecularWeight: 317.25364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N3O6/c18-13(15-12-6-7-23-16-12)9-22-14(19)5-4-10-2-1-3-11(8-10)17(20)21/h1-8H,9H2,(H,15,16,18)/b5-4+