furan-2-yl-[4-[4-nitro-5-[(phenylmethyl)amino]-2,1,3-benzoxadiazol-7-yl]piperazin-1-yl]methanone

Systemtic Name: furan-2-yl-[4-[4-nitro-5-[(phenylmethyl)amino]-2,1,3-benzoxadiazol-7-yl]piperazin-1-yl]methanone Openeye Name: [4-[5-(benzylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]piperazin-1-yl]-(2-furyl)methanone CAS Name: 2-furanyl-[4-[4-nitro-5-[(phenylmethyl)amino]-2,1,3-benzoxadiazol-7-yl]-1-piperazinyl]methanone IUPAC Name: [4-[5-(benzylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]piperazin-1-yl]-(furan-2-yl)methanone Traditional Name: [4-[6-(benzylamino)-7-nitro-benzofurazan-4-yl]piperazino]-(2-furyl)methanone Formula: C22H20N6O5 MolecularWeight: 448.4314

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCC4=CC=CC=C4)C(=O)C5=CC=CO5

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCC4=CC=CC=C4)C(=O)C5=CC=CO5

InChI

InChI=1S/C22H20N6O5/c29-22(18-7-4-12-32-18)27-10-8-26(9-11-27)17-13-16(23-14-15-5-2-1-3-6-15)21(28(30)31)20-19(17)24-33-25-20/h1-7,12-13,23H,8-11,14H2