(5-nitro-1,4-diazepan-1-yl)-[2-(3,4,5-trimethoxyphenyl)phenyl]methanone

Systemtic Name: (5-nitro-1,4-diazepan-1-yl)-[2-(3,4,5-trimethoxyphenyl)phenyl]methanone Openeye Name: (5-nitro-1,4-diazepan-1-yl)-[2-(3,4,5-trimethoxyphenyl)phenyl]methanone CAS Name: (5-nitro-1,4-diazepan-1-yl)-[2-(3,4,5-trimethoxyphenyl)phenyl]methanone IUPAC Name: (5-nitro-1,4-diazepan-1-yl)-[2-(3,4,5-trimethoxyphenyl)phenyl]methanone Traditional Name: (5-nitro-1,4-diazepan-1-yl)-[2-(3,4,5-trimethoxyphenyl)phenyl]methanone Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=CC=CC=C2C(=O)N3CCC(NCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=CC=CC=C2C(=O)N3CCC(NCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O6/c1-28-17-12-14(13-18(29-2)20(17)30-3)15-6-4-5-7-16(15)21(25)23-10-8-19(24(26)27)22-9-11-23/h4-7,12-13,19,22H,8-11H2,1-3H3