[2-[(1-methylpyrrol-2-yl)carbonylamino]-2-oxidanylidene-ethyl] 4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-benzoate

Systemtic Name: [2-[(1-methylpyrrol-2-yl)carbonylamino]-2-oxidanylidene-ethyl] 4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-benzoate Openeye Name: [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxo-ethyl] 4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoate CAS Name: 4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoic acid [2-[[(1-methyl-2-pyrrolyl)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoate Traditional Name: 4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoic acid [2-keto-2-[(1-methylpyrrole-2-carbonyl)amino]ethyl] ester Formula: C22H18ClN3O8 MolecularWeight: 487.84662

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)NC(=O)COC(=O)C2=CC(=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-])OC

Isomeric SMILES

CN1C=CC=C1C(=O)NC(=O)COC(=O)C2=CC(=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C22H18ClN3O8/c1-25-9-3-4-15(25)21(28)24-20(27)12-33-22(29)13-5-7-18(19(10-13)32-2)34-17-8-6-14(23)11-16(17)26(30)31/h3-11H,12H2,1-2H3,(H,24,27,28)