methyl 2-[(4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-yl)amino]ethanoate

Systemtic Name: methyl 2-[(4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-yl)amino]ethanoate Openeye Name: methyl 2-[(4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-yl)amino]acetate CAS Name: 2-[[4-nitro-5-(1-pyrrolidinyl)-2,1,3-benzoxadiazol-7-yl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[(4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-yl)amino]acetate Traditional Name: 2-[(7-nitro-6-pyrrolidino-benzofurazan-4-yl)amino]acetic acid methyl ester Formula: C13H15N5O5 MolecularWeight: 321.2887

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC1=CC(=C(C2=NON=C12)[N+](=O)[O-])N3CCCC3

Isomeric SMILES

COC(=O)CNC1=CC(=C(C2=NON=C12)[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C13H15N5O5/c1-22-10(19)7-14-8-6-9(17-4-2-3-5-17)13(18(20)21)12-11(8)15-23-16-12/h6,14H,2-5,7H2,1H3