8-nitro-N-[[(3S,4S)-4-oxidanylpyrrolidin-3-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide

Systemtic Name: 8-nitro-N-[[(3S,4S)-4-oxidanylpyrrolidin-3-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide Openeye Name: N-[[(3S,4S)-4-hydroxypyrrolidin-3-yl]methyl]-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide CAS Name: N-[[(3S,4S)-4-hydroxy-3-pyrrolidinyl]methyl]-8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-6-carboxamide IUPAC Name: N-[[(3S,4S)-4-hydroxypyrrolidin-3-yl]methyl]-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide Traditional Name: N-[[(3S,4S)-4-hydroxypyrrolidin-3-yl]methyl]-8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-6-carboxamide Formula: C15H19N3O6 MolecularWeight: 337.32786

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)[N+](=O)[O-])C(=O)NCC3CNCC3O)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)[N+](=O)[O-])C(=O)NC[C@@H]3CNC[C@H]3O)OC1

InChI

InChI=1S/C15H19N3O6/c19-12-8-16-6-9(12)7-17-15(20)11-4-10(18(21)22)5-13-14(11)24-3-1-2-23-13/h4-5,9,12,16,19H,1-3,6-8H2,(H,17,20)/t9-,12+/m0/s1