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1,3-benzodioxol-5-yl 4-(azepan-1-yl)-3-nitro-benzoate

1,3-benzodioxol-5-yl 4-(azepan-1-yl)-3-nitro-benzoate

Systemtic Name:1,3-benzodioxol-5-yl 4-(azepan-1-yl)-3-nitro-benzoate
Openeye Name:1,3-benzodioxol-5-yl 4-(azepan-1-yl)-3-nitro-benzoate
CAS Name:4-(1-azepanyl)-3-nitrobenzoic acid 1,3-benzodioxol-5-yl ester
IUPAC Name:1,3-benzodioxol-5-yl 4-(azepan-1-yl)-3-nitrobenzoate
Traditional Name:4-(azepan-1-yl)-3-nitro-benzoic acid 1,3-benzodioxol-5-yl ester
Formula: C20H20N2O6
MolecularWeight: 384.3826
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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)OC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]


Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)OC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]


InChI

InChI=1S/C20H20N2O6/c23-20(28-15-6-8-18-19(12-15)27-13-26-18)14-5-7-16(17(11-14)22(24)25)21-9-3-1-2-4-10-21/h5-8,11-12H,1-4,9-10,13H2


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