[3-(4-nitrophenyl)-2-oxidanylidene-1-propan-2-yl-4-propan-2-ylimino-azetidin-3-yl] 4-chloranylbenzoate

Systemtic Name: [3-(4-nitrophenyl)-2-oxidanylidene-1-propan-2-yl-4-propan-2-ylimino-azetidin-3-yl] 4-chloranylbenzoate Openeye Name: [1-isopropyl-2-isopropylimino-3-(4-nitrophenyl)-4-oxo-azetidin-3-yl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [3-(4-nitrophenyl)-2-oxo-1-propan-2-yl-4-propan-2-ylimino-3-azetidinyl] ester IUPAC Name: [3-(4-nitrophenyl)-2-oxo-1-propan-2-yl-4-propan-2-yliminoazetidin-3-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [1-isopropyl-2-isopropylimino-4-keto-3-(4-nitrophenyl)azetidin-3-yl] ester Formula: C22H22ClN3O5 MolecularWeight: 443.88018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N=C1C(C(=O)N1C(C)C)(C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)N=C1C(C(=O)N1C(C)C)(C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H22ClN3O5/c1-13(2)24-20-22(21(28)25(20)14(3)4,16-7-11-18(12-8-16)26(29)30)31-19(27)15-5-9-17(23)10-6-15/h5-14H,1-4H3