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

Systemtic Name: methyl 3-[[5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-yl]-phenyl-amino]propanoate Openeye Name: methyl 3-(N-[5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-yl]anilino)propanoate CAS Name: 3-(N-[5-(4-methyl-1-piperazinyl)-4-nitro-2,1,3-benzoxadiazol-7-yl]anilino)propanoic acid methyl ester IUPAC Name: methyl 3-(N-[5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-yl]anilino)propanoate Traditional Name: 3-(N-[6-(4-methylpiperazino)-7-nitro-benzofurazan-4-yl]anilino)propionic acid methyl ester Formula: C21H24N6O5 MolecularWeight: 440.45246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N6O5/c1-24-10-12-25(13-11-24)17-14-16(19-20(23-32-22-19)21(17)27(29)30)26(9-8-18(28)31-2)15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3