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

Systemtic Name: [3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-azanyl-3-nitro-benzoate Openeye Name: [3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid (3-o-phenetyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C18H16N4O6 MolecularWeight: 384.34284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NOC(=N2)COC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1C2=NOC(=N2)COC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O6/c1-2-26-15-6-4-3-5-12(15)17-20-16(28-21-17)10-27-18(23)11-7-8-13(19)14(9-11)22(24)25/h3-9H,2,10,19H2,1H3