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

Systemtic Name: methyl 3-[3-(1,3-benzodioxol-5-yl)-5-thiophen-3-yl-1,2-oxazol-4-yl]-5-nitro-benzoate Openeye Name: methyl 3-[3-(1,3-benzodioxol-5-yl)-5-(3-thienyl)isoxazol-4-yl]-5-nitro-benzoate CAS Name: 3-[3-(1,3-benzodioxol-5-yl)-5-(3-thiophenyl)-4-isoxazolyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[3-(1,3-benzodioxol-5-yl)-5-thiophen-3-yl-1,2-oxazol-4-yl]-5-nitrobenzoate Traditional Name: 3-[3-(1,3-benzodioxol-5-yl)-5-(3-thienyl)isoxazol-4-yl]-5-nitro-benzoic acid methyl ester Formula: C22H14N2O7S MolecularWeight: 450.42076

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C2=C(ON=C2C3=CC4=C(C=C3)OCO4)C5=CSC=C5)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C2=C(ON=C2C3=CC4=C(C=C3)OCO4)C5=CSC=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H14N2O7S/c1-28-22(25)15-6-14(7-16(8-15)24(26)27)19-20(23-31-21(19)13-4-5-32-10-13)12-2-3-17-18(9-12)30-11-29-17/h2-10H,11H2,1H3