1-[4-[[2-(furan-2-ylmethyl)-3-oxidanyl-propyl]amino]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[[2-(furan-2-ylmethyl)-3-oxidanyl-propyl]amino]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[[2-(2-furylmethyl)-3-hydroxy-propyl]amino]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[[2-(2-furanylmethyl)-3-hydroxypropyl]amino]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[[2-(furan-2-ylmethyl)-3-hydroxypropyl]amino]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[[2-(2-furfuryl)-3-hydroxy-propyl]amino]-3-nitro-phenyl]ethanone Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)NCC(CC2=CC=CO2)CO)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)NCC(CC2=CC=CO2)CO)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O5/c1-11(20)13-4-5-15(16(8-13)18(21)22)17-9-12(10-19)7-14-3-2-6-23-14/h2-6,8,12,17,19H,7,9-10H2,1H3