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

Systemtic Name: [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-azanyl-5-nitro-benzoate Openeye Name: [3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid (3-p-cumenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C19H18N4O5 MolecularWeight: 382.37002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N

InChI

InChI=1S/C19H18N4O5/c1-11(2)12-3-5-13(6-4-12)18-21-17(28-22-18)10-27-19(24)15-9-14(23(25)26)7-8-16(15)20/h3-9,11H,10,20H2,1-2H3