[5-(furan-2-ylmethylamino)-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-(4-nitrophenyl)methanone

Systemtic Name: [5-(furan-2-ylmethylamino)-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-(4-nitrophenyl)methanone Openeye Name: [5-(2-furylmethylamino)-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-(4-nitrophenyl)methanone CAS Name: [5-(2-furanylmethylamino)-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-(4-nitrophenyl)methanone IUPAC Name: [5-(furan-2-ylmethylamino)-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-(4-nitrophenyl)methanone Traditional Name: [5-(2-furfurylamino)-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-(4-nitrophenyl)methanone Formula: C21H17N5O5 MolecularWeight: 419.39018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=CO3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=CO3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O5/c1-30-17-10-6-14(7-11-17)19-23-21(22-13-18-3-2-12-31-18)25(24-19)20(27)15-4-8-16(9-5-15)26(28)29/h2-12H,13H2,1H3,(H,22,23,24)