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

Systemtic Name: (3-methyl-1,2-oxazol-5-yl)methyl 2-[(2-chlorophenyl)methylamino]-5-nitro-benzoate Openeye Name: (3-methylisoxazol-5-yl)methyl 2-[(2-chlorophenyl)methylamino]-5-nitro-benzoate CAS Name: 2-[(2-chlorophenyl)methylamino]-5-nitrobenzoic acid (3-methyl-5-isoxazolyl)methyl ester IUPAC Name: (3-methyl-1,2-oxazol-5-yl)methyl 2-[(2-chlorophenyl)methylamino]-5-nitrobenzoate Traditional Name: 2-[(2-chlorobenzyl)amino]-5-nitro-benzoic acid (3-methylisoxazol-5-yl)methyl ester Formula: C19H16ClN3O5 MolecularWeight: 401.80044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CC=CC=C3Cl

Isomeric SMILES

CC1=NOC(=C1)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CC=CC=C3Cl

InChI

InChI=1S/C19H16ClN3O5/c1-12-8-15(28-22-12)11-27-19(24)16-9-14(23(25)26)6-7-18(16)21-10-13-4-2-3-5-17(13)20/h2-9,21H,10-11H2,1H3