1-[4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-3-nitro-phenyl]ethanone Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)NCC2COC3=CC=CC=C3O2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)NC[C@H]2COC3=CC=CC=C3O2)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O5/c1-11(20)12-6-7-14(15(8-12)19(21)22)18-9-13-10-23-16-4-2-3-5-17(16)24-13/h2-8,13,18H,9-10H2,1H3/t13-/m0/s1