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

Systemtic Name: methyl 2-[(4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-yl)amino]benzoate Openeye Name: methyl 2-[(4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-yl)amino]benzoate CAS Name: 2-[[4-nitro-5-(1-pyrrolidinyl)-2,1,3-benzoxadiazol-7-yl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-yl)amino]benzoate Traditional Name: 2-[(7-nitro-6-pyrrolidino-benzofurazan-4-yl)amino]benzoic acid methyl ester Formula: C18H17N5O5 MolecularWeight: 383.35808

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCCC4

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C18H17N5O5/c1-27-18(24)11-6-2-3-7-12(11)19-13-10-14(22-8-4-5-9-22)17(23(25)26)16-15(13)20-28-21-16/h2-3,6-7,10,19H,4-5,8-9H2,1H3