(4-cyanophenyl)methyl 4-(azepan-1-yl)-3-nitro-benzoate

Systemtic Name: (4-cyanophenyl)methyl 4-(azepan-1-yl)-3-nitro-benzoate Openeye Name: (4-cyanophenyl)methyl 4-(azepan-1-yl)-3-nitro-benzoate CAS Name: 4-(1-azepanyl)-3-nitrobenzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 4-(azepan-1-yl)-3-nitrobenzoate Traditional Name: 4-(azepan-1-yl)-3-nitro-benzoic acid (4-cyanobenzyl) ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4/c22-14-16-5-7-17(8-6-16)15-28-21(25)18-9-10-19(20(13-18)24(26)27)23-11-3-1-2-4-12-23/h5-10,13H,1-4,11-12,15H2