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

Systemtic Name: methyl 2-[methyl-[5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]benzoate Openeye Name: methyl 2-[methyl-[5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]benzoate CAS Name: 2-[methyl-[5-(4-methyl-1-piperazinyl)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[methyl-[5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]benzoate Traditional Name: 2-[methyl-[6-(4-methylpiperazino)-7-nitro-benzofurazan-4-yl]amino]benzoic acid methyl ester Formula: C20H22N6O5 MolecularWeight: 426.42588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C3=NON=C3C(=C2)N(C)C4=CC=CC=C4C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C3=NON=C3C(=C2)N(C)C4=CC=CC=C4C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O5/c1-23-8-10-25(11-9-23)16-12-15(17-18(22-31-21-17)19(16)26(28)29)24(2)14-7-5-4-6-13(14)20(27)30-3/h4-7,12H,8-11H2,1-3H3