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

Systemtic Name: 2-(phenylcarbonyloxy)ethyl 4-(azepan-1-yl)-3-nitro-benzoate Openeye Name: 2-benzoyloxyethyl 4-(azepan-1-yl)-3-nitro-benzoate CAS Name: 4-(1-azepanyl)-3-nitrobenzoic acid 2-benzoyloxyethyl ester IUPAC Name: 2-benzoyloxyethyl 4-(azepan-1-yl)-3-nitrobenzoate Traditional Name: 4-(azepan-1-yl)-3-nitro-benzoic acid 2-benzoyloxyethyl ester Formula: C22H24N2O6 MolecularWeight: 412.43576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O6/c25-21(17-8-4-3-5-9-17)29-14-15-30-22(26)18-10-11-19(20(16-18)24(27)28)23-12-6-1-2-7-13-23/h3-5,8-11,16H,1-2,6-7,12-15H2