[2-[[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 4-nitrobenzoate

Systemtic Name: [2-[[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 4-nitrobenzoate Openeye Name: [2-[[2-(2-furylmethylamino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-[[2-(2-furanylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-[[2-(2-furfurylamino)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl] ester Formula: C17H17N3O7 MolecularWeight: 375.33278

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NCC1=CC=CO1)C(=O)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN(CC(=O)NCC1=CC=CO1)C(=O)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O7/c1-19(10-15(21)18-9-14-3-2-8-26-14)16(22)11-27-17(23)12-4-6-13(7-5-12)20(24)25/h2-8H,9-11H2,1H3,(H,18,21)