N-(furan-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine

Systemtic Name: N-(furan-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine Openeye Name: N-(2-furylmethyl)-N-[(4-methoxyphenyl)methyl]-4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine CAS Name: N-(2-furanylmethyl)-N-[(4-methoxyphenyl)methyl]-4-nitro-5-(1-pyrrolidinyl)-2,1,3-benzoxadiazol-7-amine IUPAC Name: N-(furan-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine Traditional Name: 2-furfuryl-(7-nitro-6-pyrrolidino-benzofurazan-4-yl)-p-anisyl-amine Formula: C23H23N5O5 MolecularWeight: 449.45922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CC2=CC=CO2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])N5CCCC5

Isomeric SMILES

COC1=CC=C(C=C1)CN(CC2=CC=CO2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])N5CCCC5

InChI

InChI=1S/C23H23N5O5/c1-31-17-8-6-16(7-9-17)14-27(15-18-5-4-12-32-18)19-13-20(26-10-2-3-11-26)23(28(29)30)22-21(19)24-33-25-22/h4-9,12-13H,2-3,10-11,14-15H2,1H3