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

Systemtic Name: ethyl 4-(azepan-1-yl)-3-nitro-benzoate Openeye Name: ethyl 4-(azepan-1-yl)-3-nitro-benzoate CAS Name: 4-(1-azepanyl)-3-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-(azepan-1-yl)-3-nitrobenzoate Traditional Name: 4-(azepan-1-yl)-3-nitro-benzoic acid ethyl ester Formula: C15H20N2O4 MolecularWeight: 292.3303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCCCCC2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C15H20N2O4/c1-2-21-15(18)12-7-8-13(14(11-12)17(19)20)16-9-5-3-4-6-10-16/h7-8,11H,2-6,9-10H2,1H3