[2-[3-(diethylamino)-1,2-oxazol-5-yl]-5-methoxy-phenyl] 3-nitrobenzoate

Systemtic Name: [2-[3-(diethylamino)-1,2-oxazol-5-yl]-5-methoxy-phenyl] 3-nitrobenzoate Openeye Name: [2-[3-(diethylamino)isoxazol-5-yl]-5-methoxy-phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-[3-(diethylamino)-5-isoxazolyl]-5-methoxyphenyl] ester IUPAC Name: [2-[3-(diethylamino)-1,2-oxazol-5-yl]-5-methoxyphenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-[3-(diethylamino)isoxazol-5-yl]-5-methoxy-phenyl] ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NOC(=C1)C2=C(C=C(C=C2)OC)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C1=NOC(=C1)C2=C(C=C(C=C2)OC)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O6/c1-4-23(5-2)20-13-19(30-22-20)17-10-9-16(28-3)12-18(17)29-21(25)14-7-6-8-15(11-14)24(26)27/h6-13H,4-5H2,1-3H3