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

Systemtic Name: (3-chlorophenyl) 4-(azepan-1-yl)-3-nitro-benzoate Openeye Name: (3-chlorophenyl) 4-(azepan-1-yl)-3-nitro-benzoate CAS Name: 4-(1-azepanyl)-3-nitrobenzoic acid (3-chlorophenyl) ester IUPAC Name: (3-chlorophenyl) 4-(azepan-1-yl)-3-nitrobenzoate Traditional Name: 4-(azepan-1-yl)-3-nitro-benzoic acid (3-chlorophenyl) ester Formula: C19H19ClN2O4 MolecularWeight: 374.81816

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)OC3=CC(=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)OC3=CC(=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H19ClN2O4/c20-15-6-5-7-16(13-15)26-19(23)14-8-9-17(18(12-14)22(24)25)21-10-3-1-2-4-11-21/h5-9,12-13H,1-4,10-11H2