[2-[cyclopenten-1-yl(ethyl)amino]-2-oxidanylidene-ethyl] 4-bromanyl-3-nitro-benzoate

Systemtic Name: [2-[cyclopenten-1-yl(ethyl)amino]-2-oxidanylidene-ethyl] 4-bromanyl-3-nitro-benzoate Openeye Name: [2-[cyclopenten-1-yl(ethyl)amino]-2-oxo-ethyl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [2-[1-cyclopentenyl(ethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [2-[cyclopenten-1-yl(ethyl)amino]-2-keto-ethyl] ester Formula: C16H17BrN2O5 MolecularWeight: 397.22058

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CCCC1)C(=O)COC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CCN(C1=CCCC1)C(=O)COC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H17BrN2O5/c1-2-18(12-5-3-4-6-12)15(20)10-24-16(21)11-7-8-13(17)14(9-11)19(22)23/h5,7-9H,2-4,6,10H2,1H3