2-[[7-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]-methyl-amino]ethyl ethanoate

Systemtic Name: 2-[[7-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]-methyl-amino]ethyl ethanoate Openeye Name: 2-[[7-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]-methyl-amino]ethyl acetate CAS Name: acetic acid 2-[[7-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]-methylamino]ethyl ester IUPAC Name: 2-[[7-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]-methylamino]ethyl acetate Traditional Name: acetic acid 2-[[7-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-benzofurazan-5-yl]-methyl-amino]ethyl ester Formula: C20H21N5O5 MolecularWeight: 411.41124

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCN(C)C1=C(C2=NON=C2C(=C1)N3CCC4=CC=CC=C4C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCCN(C)C1=C(C2=NON=C2C(=C1)N3CCC4=CC=CC=C4C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O5/c1-13(26)29-10-9-23(2)17-11-16(18-19(22-30-21-18)20(17)25(27)28)24-8-7-14-5-3-4-6-15(14)12-24/h3-6,11H,7-10,12H2,1-2H3