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

Systemtic Name: 4-ethoxy-N-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]aniline Openeye Name: 4-ethoxy-N-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]aniline CAS Name: 4-ethoxy-N-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]aniline IUPAC Name: 4-ethoxy-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-p-phenetyl-amine Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NCC2OCC3=C(CO2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC[C@H]2OCC3=C(CO2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O5/c1-2-23-17-7-4-15(5-8-17)19-10-18-24-11-13-3-6-16(20(21)22)9-14(13)12-25-18/h3-9,18-19H,2,10-12H2,1H3/t18-/m0/s1