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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C(C2=CC=NC=C2)O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C(C2=CC=NC=C2)O)C)[N+](=O)[O-]

InChI

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