(phenylmethyl) 4-(azepan-1-yl)-3-nitro-benzoate

Systemtic Name: (phenylmethyl) 4-(azepan-1-yl)-3-nitro-benzoate Openeye Name: benzyl 4-(azepan-1-yl)-3-nitro-benzoate CAS Name: 4-(1-azepanyl)-3-nitrobenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(azepan-1-yl)-3-nitrobenzoate Traditional Name: 4-(azepan-1-yl)-3-nitro-benzoic acid benzyl ester Formula: C20H22N2O4 MolecularWeight: 354.39968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4/c23-20(26-15-16-8-4-3-5-9-16)17-10-11-18(19(14-17)22(24)25)21-12-6-1-2-7-13-21/h3-5,8-11,14H,1-2,6-7,12-13,15H2