ethyl 1-[(5-methyl-2-nitro-phenyl)methyl]imidazole-2-carboxylate

Systemtic Name: ethyl 1-[(5-methyl-2-nitro-phenyl)methyl]imidazole-2-carboxylate Openeye Name: ethyl 1-[(5-methyl-2-nitro-phenyl)methyl]imidazole-2-carboxylate CAS Name: 1-[(5-methyl-2-nitrophenyl)methyl]-2-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(5-methyl-2-nitrophenyl)methyl]imidazole-2-carboxylate Traditional Name: 1-(5-methyl-2-nitro-benzyl)imidazole-2-carboxylic acid ethyl ester Formula: C14H15N3O4 MolecularWeight: 289.2866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC=CN1CC2=C(C=CC(=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NC=CN1CC2=C(C=CC(=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O4/c1-3-21-14(18)13-15-6-7-16(13)9-11-8-10(2)4-5-12(11)17(19)20/h4-8H,3,9H2,1-2H3