[2-[2-(4-chloranylphenoxy)ethyl-methyl-amino]-2-oxidanylidene-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: [2-[2-(4-chloranylphenoxy)ethyl-methyl-amino]-2-oxidanylidene-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: [2-[2-(4-chlorophenoxy)ethyl-methyl-amino]-2-oxo-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl] 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid [2-[2-(4-chlorophenoxy)ethyl-methyl-amino]-2-keto-ethyl] ester Formula: C17H18ClN3O6 MolecularWeight: 395.79432

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OCC(=O)N(C)CCOC2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)OCC(=O)N(C)CCOC2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H18ClN3O6/c1-19(7-8-26-14-5-3-12(18)4-6-14)16(22)11-27-17(23)15-9-13(21(24)25)10-20(15)2/h3-6,9-10H,7-8,11H2,1-2H3