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

Systemtic Name: methyl 2-[[5-(4-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]benzoate Openeye Name: methyl 2-[[5-(4-methyl-1-piperidyl)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]benzoate CAS Name: 2-[[5-(4-methyl-1-piperidinyl)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-(4-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]benzoate Traditional Name: 2-[[6-(4-methylpiperidino)-7-nitro-benzofurazan-4-yl]amino]benzoic acid methyl ester Formula: C20H21N5O5 MolecularWeight: 411.41124

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C3=NON=C3C(=C2)NC4=CC=CC=C4C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C3=NON=C3C(=C2)NC4=CC=CC=C4C(=O)OC)[N+](=O)[O-]

InChI

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