(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]benzoate

Systemtic Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]benzoate Openeye Name: (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl 2-[(2-chloro-4-nitro-benzoyl)amino]benzoate CAS Name: 2-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]benzoic acid (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(2-chloro-4-nitrobenzoyl)amino]benzoate Traditional Name: 2-[(2-chloro-4-nitro-benzoyl)amino]benzoic acid (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C20H17ClN4O6 MolecularWeight: 444.82518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NOC(=N1)COC(=O)C2=CC=CC=C2NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)C1=NOC(=N1)COC(=O)C2=CC=CC=C2NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H17ClN4O6/c1-11(2)18-23-17(31-24-18)10-30-20(27)14-5-3-4-6-16(14)22-19(26)13-8-7-12(25(28)29)9-15(13)21/h3-9,11H,10H2,1-2H3,(H,22,26)