[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl 4-chloranyl-3-nitro-benzoate

Systemtic Name: [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl 4-chloranyl-3-nitro-benzoate Openeye Name: [5-(1,3-benzodioxol-5-yl)isoxazol-3-yl]methyl 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [5-(1,3-benzodioxol-5-yl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [5-(1,3-benzodioxol-5-yl)isoxazol-3-yl]methyl ester Formula: C18H11ClN2O7 MolecularWeight: 402.74214

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CC(=NO3)COC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CC(=NO3)COC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H11ClN2O7/c19-13-3-1-11(5-14(13)21(23)24)18(22)25-8-12-7-16(28-20-12)10-2-4-15-17(6-10)27-9-26-15/h1-7H,8-9H2