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

Systemtic Name: (4-methoxycarbonylphenyl)methyl 4-(azepan-1-yl)-3-nitro-benzoate Openeye Name: (4-methoxycarbonylphenyl)methyl 4-(azepan-1-yl)-3-nitro-benzoate CAS Name: 4-(1-azepanyl)-3-nitrobenzoic acid (4-methoxycarbonylphenyl)methyl ester IUPAC Name: (4-methoxycarbonylphenyl)methyl 4-(azepan-1-yl)-3-nitrobenzoate Traditional Name: 4-(azepan-1-yl)-3-nitro-benzoic acid (4-carbomethoxybenzyl) ester Formula: C22H24N2O6 MolecularWeight: 412.43576

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H24N2O6/c1-29-21(25)17-8-6-16(7-9-17)15-30-22(26)18-10-11-19(20(14-18)24(27)28)23-12-4-2-3-5-13-23/h6-11,14H,2-5,12-13,15H2,1H3