1-[1-(4-methoxyphenyl)-2-oxidanylidene-4-(phenylcarbonyl)azetidin-3-yl]ethyl 3,5-dinitrobenzoate

Systemtic Name: 1-[1-(4-methoxyphenyl)-2-oxidanylidene-4-(phenylcarbonyl)azetidin-3-yl]ethyl 3,5-dinitrobenzoate Openeye Name: 1-[2-benzoyl-1-(4-methoxyphenyl)-4-oxo-azetidin-3-yl]ethyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 1-[2-benzoyl-1-(4-methoxyphenyl)-4-oxo-3-azetidinyl]ethyl ester IUPAC Name: 1-[2-benzoyl-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl]ethyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid 1-[2-benzoyl-4-keto-1-(4-methoxyphenyl)azetidin-3-yl]ethyl ester Formula: C26H21N3O9 MolecularWeight: 519.45964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C(N(C1=O)C2=CC=C(C=C2)OC)C(=O)C3=CC=CC=C3)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C1C(N(C1=O)C2=CC=C(C=C2)OC)C(=O)C3=CC=CC=C3)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C26H21N3O9/c1-15(38-26(32)17-12-19(28(33)34)14-20(13-17)29(35)36)22-23(24(30)16-6-4-3-5-7-16)27(25(22)31)18-8-10-21(37-2)11-9-18/h3-15,22-23H,1-2H3