ethyl 2-methyl-4-nitro-5-[oxidanyl(pyridin-4-yl)methyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2-methyl-4-nitro-5-[oxidanyl(pyridin-4-yl)methyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[hydroxy(4-pyridyl)methyl]-2-methyl-4-nitro-1H-pyrrole-3-carboxylate CAS Name: 5-[hydroxy(pyridin-4-yl)methyl]-2-methyl-4-nitro-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[hydroxy(pyridin-4-yl)methyl]-2-methyl-4-nitro-1H-pyrrole-3-carboxylate Traditional Name: 5-[hydroxy(4-pyridyl)methyl]-2-methyl-4-nitro-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C14H15N3O5 MolecularWeight: 305.286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1[N+](=O)[O-])C(C2=CC=NC=C2)O)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1[N+](=O)[O-])C(C2=CC=NC=C2)O)C

InChI

InChI=1S/C14H15N3O5/c1-3-22-14(19)10-8(2)16-11(12(10)17(20)21)13(18)9-4-6-15-7-5-9/h4-7,13,16,18H,3H2,1-2H3