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

Systemtic Name: 3-(azepan-1-yl)-4-nitro-benzoate Openeye Name: 3-(azepan-1-yl)-4-nitro-benzoate CAS Name: 3-(1-azepanyl)-4-nitrobenzoate IUPAC Name: 3-(azepan-1-yl)-4-nitrobenzoate Traditional Name: 3-(azepan-1-yl)-4-nitro-benzoate Formula: C13H15N2O4- MolecularWeight: 263.2692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O4/c16-13(17)10-5-6-11(15(18)19)12(9-10)14-7-3-1-2-4-8-14/h5-6,9H,1-4,7-8H2,(H,16,17)/p-1