(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: (5-methyl-2-phenyl-oxazol-4-yl)methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid (5-methyl-2-phenyl-4-oxazolyl)methyl ester IUPAC Name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid (5-methyl-2-phenyl-oxazol-4-yl)methyl ester Formula: C20H16N2O7 MolecularWeight: 396.35024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)COC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCO4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)COC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCO4

InChI

InChI=1S/C20H16N2O7/c1-12-15(21-19(29-12)13-5-3-2-4-6-13)11-28-20(23)14-9-17-18(27-8-7-26-17)10-16(14)22(24)25/h2-6,9-10H,7-8,11H2,1H3