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

Systemtic Name: [2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl] 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: [2-(isoxazol-3-ylamino)-2-oxo-ethyl] 2-(4-chloro-3-nitro-benzoyl)benzoate CAS Name: 2-[(4-chloro-3-nitrophenyl)-oxomethyl]benzoic acid [2-(3-isoxazolylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-(4-chloro-3-nitrobenzoyl)benzoate Traditional Name: 2-(4-chloro-3-nitro-benzoyl)benzoic acid [2-(isoxazol-3-ylamino)-2-keto-ethyl] ester Formula: C19H12ClN3O7 MolecularWeight: 429.76748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OCC(=O)NC3=NOC=C3

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OCC(=O)NC3=NOC=C3

InChI

InChI=1S/C19H12ClN3O7/c20-14-6-5-11(9-15(14)23(27)28)18(25)12-3-1-2-4-13(12)19(26)29-10-17(24)21-16-7-8-30-22-16/h1-9H,10H2,(H,21,22,24)