N-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]aniline

Systemtic Name: N-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]aniline Openeye Name: N-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]aniline CAS Name: N-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]aniline IUPAC Name: N-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]aniline Traditional Name: [(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl-phenyl-amine Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(COC(O1)CNC3=CC=CC=C3)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1C2=C(CO[C@H](O1)CNC3=CC=CC=C3)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O4/c19-18(20)15-7-6-12-10-21-16(22-11-13(12)8-15)9-17-14-4-2-1-3-5-14/h1-8,16-17H,9-11H2/t16-/m0/s1