pyridin-3-ylmethyl 4-(azepan-1-yl)-3-nitro-benzoate

Systemtic Name: pyridin-3-ylmethyl 4-(azepan-1-yl)-3-nitro-benzoate Openeye Name: 3-pyridylmethyl 4-(azepan-1-yl)-3-nitro-benzoate CAS Name: 4-(1-azepanyl)-3-nitrobenzoic acid 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl 4-(azepan-1-yl)-3-nitrobenzoate Traditional Name: 4-(azepan-1-yl)-3-nitro-benzoic acid 3-pyridylmethyl ester Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4/c23-19(26-14-15-6-5-9-20-13-15)16-7-8-17(18(12-16)22(24)25)21-10-3-1-2-4-11-21/h5-9,12-13H,1-4,10-11,14H2