methyl 2-[5-[cyano-(4-nitrophenyl)-oxidanyl-methyl]-1-methyl-pyrrol-2-yl]ethanoate

Systemtic Name: methyl 2-[5-[cyano-(4-nitrophenyl)-oxidanyl-methyl]-1-methyl-pyrrol-2-yl]ethanoate Openeye Name: methyl 2-[5-[cyano-hydroxy-(4-nitrophenyl)methyl]-1-methyl-pyrrol-2-yl]acetate CAS Name: 2-[5-[cyano-hydroxy-(4-nitrophenyl)methyl]-1-methyl-2-pyrrolyl]acetic acid methyl ester IUPAC Name: methyl 2-[5-[cyano-hydroxy-(4-nitrophenyl)methyl]-1-methylpyrrol-2-yl]acetate Traditional Name: 2-[5-[cyano-hydroxy-(4-nitrophenyl)methyl]-1-methyl-pyrrol-2-yl]acetic acid methyl ester Formula: C16H15N3O5 MolecularWeight: 329.3074

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1C(C#N)(C2=CC=C(C=C2)[N+](=O)[O-])O)CC(=O)OC

Isomeric SMILES

CN1C(=CC=C1C(C#N)(C2=CC=C(C=C2)[N+](=O)[O-])O)CC(=O)OC

InChI

InChI=1S/C16H15N3O5/c1-18-13(9-15(20)24-2)7-8-14(18)16(21,10-17)11-3-5-12(6-4-11)19(22)23/h3-8,21H,9H2,1-2H3