(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-chlorophenyl)methylamino]-5-nitro-benzoate

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-chlorophenyl)methylamino]-5-nitro-benzoate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 2-[(2-chlorophenyl)methylamino]-5-nitro-benzoate CAS Name: 2-[(2-chlorophenyl)methylamino]-5-nitrobenzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-chlorophenyl)methylamino]-5-nitrobenzoate Traditional Name: 2-[(2-chlorobenzyl)amino]-5-nitro-benzoic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C20H18ClN3O5 MolecularWeight: 415.82702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CC=CC=C3Cl

Isomeric SMILES

CC1=C(C(=NO1)C)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CC=CC=C3Cl

InChI

InChI=1S/C20H18ClN3O5/c1-12-17(13(2)29-23-12)11-28-20(25)16-9-15(24(26)27)7-8-19(16)22-10-14-5-3-4-6-18(14)21/h3-9,22H,10-11H2,1-2H3