(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-azanyl-4-nitro-benzoate

Systemtic Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-azanyl-4-nitro-benzoate Openeye Name: (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl 2-amino-4-nitro-benzoate CAS Name: 2-amino-4-nitrobenzoic 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-amino-4-nitrobenzoate Traditional Name: 2-amino-4-nitro-benzoic acid (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C13H14N4O5 MolecularWeight: 306.27406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O5/c1-7(2)12-15-11(22-16-12)6-21-13(18)9-4-3-8(17(19)20)5-10(9)14/h3-5,7H,6,14H2,1-2H3