2-imidazol-1-ylethyl 2-methyl-5-nitro-pyridine-3-carboxylate

Systemtic Name: 2-imidazol-1-ylethyl 2-methyl-5-nitro-pyridine-3-carboxylate Openeye Name: 2-imidazol-1-ylethyl 2-methyl-5-nitro-pyridine-3-carboxylate CAS Name: 2-methyl-5-nitro-3-pyridinecarboxylic acid 2-(1-imidazolyl)ethyl ester IUPAC Name: 2-imidazol-1-ylethyl 2-methyl-5-nitropyridine-3-carboxylate Traditional Name: 2-methyl-5-nitro-nicotinic acid 2-imidazol-1-ylethyl ester Formula: C12H12N4O4 MolecularWeight: 276.24808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1C(=O)OCCN2C=CN=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(C=C1C(=O)OCCN2C=CN=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O4/c1-9-11(6-10(7-14-9)16(18)19)12(17)20-5-4-15-3-2-13-8-15/h2-3,6-8H,4-5H2,1H3