(2,4-dichlorophenyl)methyl 4-(azepan-1-yl)-3-nitro-benzoate

Systemtic Name: (2,4-dichlorophenyl)methyl 4-(azepan-1-yl)-3-nitro-benzoate Openeye Name: (2,4-dichlorophenyl)methyl 4-(azepan-1-yl)-3-nitro-benzoate CAS Name: 4-(1-azepanyl)-3-nitrobenzoic acid (2,4-dichlorophenyl)methyl ester IUPAC Name: (2,4-dichlorophenyl)methyl 4-(azepan-1-yl)-3-nitrobenzoate Traditional Name: 4-(azepan-1-yl)-3-nitro-benzoic acid (2,4-dichlorobenzyl) ester Formula: C20H20Cl2N2O4 MolecularWeight: 423.2898

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H20Cl2N2O4/c21-16-7-5-15(17(22)12-16)13-28-20(25)14-6-8-18(19(11-14)24(26)27)23-9-3-1-2-4-10-23/h5-8,11-12H,1-4,9-10,13H2