[2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-chloranyl-2-nitro-benzoate

Systemtic Name: [2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-chloranyl-2-nitro-benzoate Openeye Name: [2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid [2-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid [2-keto-2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]ethyl] ester Formula: C18H19ClN2O6 MolecularWeight: 394.80626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCOC)C)C(=O)COC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CCOC)C)C(=O)COC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H19ClN2O6/c1-11-8-15(12(2)20(11)6-7-26-3)17(22)10-27-18(23)14-5-4-13(19)9-16(14)21(24)25/h4-5,8-9H,6-7,10H2,1-3H3