2-(2-methylazepan-1-yl)ethyl 4-nitrobenzoate

Systemtic Name: 2-(2-methylazepan-1-yl)ethyl 4-nitrobenzoate Openeye Name: 2-(2-methylazepan-1-yl)ethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-(2-methyl-1-azepanyl)ethyl ester IUPAC Name: 2-(2-methylazepan-1-yl)ethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-(2-methylazepan-1-yl)ethyl ester Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCCN1CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1CCCCCN1CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H22N2O4/c1-13-5-3-2-4-10-17(13)11-12-22-16(19)14-6-8-15(9-7-14)18(20)21/h6-9,13H,2-5,10-12H2,1H3