N-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine

Systemtic Name: N-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine Openeye Name: N-(4-chlorophenyl)-N-(2-furylmethyl)-4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine CAS Name: N-(4-chlorophenyl)-N-(2-furanylmethyl)-4-nitro-5-(1-pyrrolidinyl)-2,1,3-benzoxadiazol-7-amine IUPAC Name: N-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine Traditional Name: (4-chlorophenyl)-(2-furfuryl)-(7-nitro-6-pyrrolidino-benzofurazan-4-yl)amine Formula: C21H18ClN5O4 MolecularWeight: 439.85172

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C3=NON=C3C(=C2)N(CC4=CC=CO4)C5=CC=C(C=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C3=NON=C3C(=C2)N(CC4=CC=CO4)C5=CC=C(C=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H18ClN5O4/c22-14-5-7-15(8-6-14)26(13-16-4-3-11-30-16)17-12-18(25-9-1-2-10-25)21(27(28)29)20-19(17)23-31-24-20/h3-8,11-12H,1-2,9-10,13H2