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

Systemtic Name: [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-azanyl-5-nitro-benzoate Openeye Name: [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C19H18N4O8 MolecularWeight: 430.36822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N

InChI

InChI=1S/C19H18N4O8/c1-27-14-6-10(7-15(28-2)17(14)29-3)18-22-21-16(31-18)9-30-19(24)12-8-11(23(25)26)4-5-13(12)20/h4-8H,9,20H2,1-3H3