azepan-2-ylmethyl 4-nitrobenzoate

Systemtic Name: azepan-2-ylmethyl 4-nitrobenzoate Openeye Name: azepan-2-ylmethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-azepanylmethyl ester IUPAC Name: azepan-2-ylmethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid azepan-2-ylmethyl ester Formula: C14H18N2O4 MolecularWeight: 278.30372

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(NCC1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CCC(NCC1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H18N2O4/c17-14(11-5-7-13(8-6-11)16(18)19)20-10-12-4-2-1-3-9-15-12/h5-8,12,15H,1-4,9-10H2