(5-methyl-1,2-oxazol-3-yl)methyl 3-nitro-4-[(phenylmethyl)amino]benzoate

Systemtic Name: (5-methyl-1,2-oxazol-3-yl)methyl 3-nitro-4-[(phenylmethyl)amino]benzoate Openeye Name: (5-methylisoxazol-3-yl)methyl 4-(benzylamino)-3-nitro-benzoate CAS Name: 3-nitro-4-[(phenylmethyl)amino]benzoic acid (5-methyl-3-isoxazolyl)methyl ester IUPAC Name: (5-methyl-1,2-oxazol-3-yl)methyl 4-(benzylamino)-3-nitrobenzoate Traditional Name: 4-(benzylamino)-3-nitro-benzoic acid (5-methylisoxazol-3-yl)methyl ester Formula: C19H17N3O5 MolecularWeight: 367.35538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)COC(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)COC(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O5/c1-13-9-16(21-27-13)12-26-19(23)15-7-8-17(18(10-15)22(24)25)20-11-14-5-3-2-4-6-14/h2-10,20H,11-12H2,1H3