[2-[cyclohexen-1-yl(propyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [2-[cyclohexen-1-yl(propyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-nitro-benzoate Openeye Name: [2-[cyclohexen-1-yl(propyl)amino]-2-oxo-ethyl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [2-[1-cyclohexenyl(propyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexen-1-yl(propyl)amino]-2-oxoethyl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [2-[cyclohexen-1-yl(propyl)amino]-2-keto-ethyl] ester Formula: C18H21ClN2O5 MolecularWeight: 380.82274

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CCCCC1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCCN(C1=CCCCC1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H21ClN2O5/c1-2-10-20(13-6-4-3-5-7-13)17(22)12-26-18(23)15-11-14(21(24)25)8-9-16(15)19/h6,8-9,11H,2-5,7,10,12H2,1H3