2-(4-methoxyphenyl)ethyl 4-(azepan-1-yl)-3-nitro-benzoate

Systemtic Name: 2-(4-methoxyphenyl)ethyl 4-(azepan-1-yl)-3-nitro-benzoate Openeye Name: 2-(4-methoxyphenyl)ethyl 4-(azepan-1-yl)-3-nitro-benzoate CAS Name: 4-(1-azepanyl)-3-nitrobenzoic acid 2-(4-methoxyphenyl)ethyl ester IUPAC Name: 2-(4-methoxyphenyl)ethyl 4-(azepan-1-yl)-3-nitrobenzoate Traditional Name: 4-(azepan-1-yl)-3-nitro-benzoic acid 2-(4-methoxyphenyl)ethyl ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCOC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CCOC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N2O5/c1-28-19-9-6-17(7-10-19)12-15-29-22(25)18-8-11-20(21(16-18)24(26)27)23-13-4-2-3-5-14-23/h6-11,16H,2-5,12-15H2,1H3