(3-methyl-1,2-oxazol-5-yl)methyl 4-(cyclopropylamino)-3-nitro-benzoate

Systemtic Name: (3-methyl-1,2-oxazol-5-yl)methyl 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: (3-methylisoxazol-5-yl)methyl 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid (3-methyl-5-isoxazolyl)methyl ester IUPAC Name: (3-methyl-1,2-oxazol-5-yl)methyl 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid (3-methylisoxazol-5-yl)methyl ester Formula: C15H15N3O5 MolecularWeight: 317.2967

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)COC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CC1=NOC(=C1)COC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C15H15N3O5/c1-9-6-12(23-17-9)8-22-15(19)10-2-5-13(16-11-3-4-11)14(7-10)18(20)21/h2,5-7,11,16H,3-4,8H2,1H3