[2-(cycloheptylamino)-2-oxidanylidene-ethyl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [2-(cycloheptylamino)-2-oxidanylidene-ethyl] 2-chloranyl-5-nitro-benzoate Openeye Name: [2-(cycloheptylamino)-2-oxo-ethyl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [2-(cycloheptylamino)-2-oxoethyl] ester IUPAC Name: [2-(cycloheptylamino)-2-oxoethyl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [2-(cycloheptylamino)-2-keto-ethyl] ester Formula: C16H19ClN2O5 MolecularWeight: 354.78546

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCCC(CC1)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H19ClN2O5/c17-14-8-7-12(19(22)23)9-13(14)16(21)24-10-15(20)18-11-5-3-1-2-4-6-11/h7-9,11H,1-6,10H2,(H,18,20)