ethyl 3-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]carbonyl-5-nitro-benzoate

Systemtic Name: ethyl 3-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: ethyl 3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-5-nitro-benzoic acid ethyl ester Formula: C22H29N3O6 MolecularWeight: 431.48216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCC(CC2)C(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCC(CC2)C(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H29N3O6/c1-2-31-22(28)18-13-17(14-19(15-18)25(29)30)21(27)24-11-7-16(8-12-24)20(26)23-9-5-3-4-6-10-23/h13-16H,2-12H2,1H3