propan-2-yl 6-(2,1,3-benzoxadiazol-4-yl)-2,4-dimethyl-5-nitro-cyclohexa-1,4-diene-1-carboxylate

Systemtic Name: propan-2-yl 6-(2,1,3-benzoxadiazol-4-yl)-2,4-dimethyl-5-nitro-cyclohexa-1,4-diene-1-carboxylate Openeye Name: isopropyl 6-(2,1,3-benzoxadiazol-4-yl)-2,4-dimethyl-5-nitro-cyclohexa-1,4-diene-1-carboxylate CAS Name: 6-(2,1,3-benzoxadiazol-4-yl)-2,4-dimethyl-5-nitro-1-cyclohexa-1,4-dienecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 6-(2,1,3-benzoxadiazol-4-yl)-2,4-dimethyl-5-nitrocyclohexa-1,4-diene-1-carboxylate Traditional Name: 6-benzofurazan-4-yl-2,4-dimethyl-5-nitro-cyclohexa-1,4-diene-1-carboxylic acid isopropyl ester Formula: C18H19N3O5 MolecularWeight: 357.36056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(C1)C)[N+](=O)[O-])C2=CC=CC3=NON=C32)C(=O)OC(C)C

Isomeric SMILES

CC1=C(C(C(=C(C1)C)[N+](=O)[O-])C2=CC=CC3=NON=C32)C(=O)OC(C)C

InChI

InChI=1S/C18H19N3O5/c1-9(2)25-18(22)14-10(3)8-11(4)17(21(23)24)15(14)12-6-5-7-13-16(12)20-26-19-13/h5-7,9,15H,8H2,1-4H3