(4-ethoxy-3-nitro-phenyl)-[2-(4-methoxyphenyl)azepan-1-yl]methanone

Systemtic Name: (4-ethoxy-3-nitro-phenyl)-[2-(4-methoxyphenyl)azepan-1-yl]methanone Openeye Name: (4-ethoxy-3-nitro-phenyl)-[2-(4-methoxyphenyl)azepan-1-yl]methanone CAS Name: (4-ethoxy-3-nitrophenyl)-[2-(4-methoxyphenyl)-1-azepanyl]methanone IUPAC Name: (4-ethoxy-3-nitrophenyl)-[2-(4-methoxyphenyl)azepan-1-yl]methanone Traditional Name: (4-ethoxy-3-nitro-phenyl)-[2-(4-methoxyphenyl)azepan-1-yl]methanone Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CCCCCC2C3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CCCCCC2C3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H26N2O5/c1-3-29-21-13-10-17(15-20(21)24(26)27)22(25)23-14-6-4-5-7-19(23)16-8-11-18(28-2)12-9-16/h8-13,15,19H,3-7,14H2,1-2H3