[2-[1-(3-methoxy-3-oxidanylidene-propyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-azanyl-4-chloranyl-benzoate

Systemtic Name: [2-[1-(3-methoxy-3-oxidanylidene-propyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-azanyl-4-chloranyl-benzoate Openeye Name: [2-[1-(3-methoxy-3-oxo-propyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid [2-[1-(3-methoxy-3-oxopropyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(3-methoxy-3-oxopropyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid [2-keto-2-[1-(3-keto-3-methoxy-propyl)-2,5-dimethyl-pyrrol-3-yl]ethyl] ester Formula: C19H21ClN2O5 MolecularWeight: 392.83344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(=O)OC)C)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)N

Isomeric SMILES

CC1=CC(=C(N1CCC(=O)OC)C)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)N

InChI

InChI=1S/C19H21ClN2O5/c1-11-8-14(12(2)22(11)7-6-18(24)26-3)17(23)10-27-19(25)13-4-5-15(20)16(21)9-13/h4-5,8-9H,6-7,10,21H2,1-3H3