ethyl 4-[2-[4-(azepan-1-yl)-3-nitro-phenyl]carbonyloxyethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[4-(azepan-1-yl)-3-nitro-phenyl]carbonyloxyethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[4-(azepan-1-yl)-3-nitro-benzoyl]oxyacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[4-(1-azepanyl)-3-nitrophenyl]-oxomethoxy]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-(azepan-1-yl)-3-nitrobenzoyl]oxyacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[4-(azepan-1-yl)-3-nitro-benzoyl]oxyacetyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H30N4O7 MolecularWeight: 462.4962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H30N4O7/c1-2-32-22(29)25-13-11-24(12-14-25)20(27)16-33-21(28)17-7-8-18(19(15-17)26(30)31)23-9-5-3-4-6-10-23/h7-8,15H,2-6,9-14,16H2,1H3