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

Systemtic Name: (2,3-dimethoxyphenyl)methyl 4-(azepan-1-yl)-3-nitro-benzoate Openeye Name: (2,3-dimethoxyphenyl)methyl 4-(azepan-1-yl)-3-nitro-benzoate CAS Name: 4-(1-azepanyl)-3-nitrobenzoic acid (2,3-dimethoxyphenyl)methyl ester IUPAC Name: (2,3-dimethoxyphenyl)methyl 4-(azepan-1-yl)-3-nitrobenzoate Traditional Name: 4-(azepan-1-yl)-3-nitro-benzoic acid o-veratryl ester Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)COC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1OC)COC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N2O6/c1-28-20-9-7-8-17(21(20)29-2)15-30-22(25)16-10-11-18(19(14-16)24(26)27)23-12-5-3-4-6-13-23/h7-11,14H,3-6,12-13,15H2,1-2H3