methyl 3-[(2-methyl-4,5-dihydroimidazol-1-yl)carbonyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(2-methyl-4,5-dihydroimidazol-1-yl)carbonyl]-5-nitro-benzoate Openeye Name: methyl 3-(2-methyl-4,5-dihydroimidazole-1-carbonyl)-5-nitro-benzoate CAS Name: 3-[(2-methyl-4,5-dihydroimidazol-1-yl)-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(2-methyl-4,5-dihydroimidazole-1-carbonyl)-5-nitrobenzoate Traditional Name: 3-(2-methyl-2-imidazoline-1-carbonyl)-5-nitro-benzoic acid methyl ester Formula: C13H13N3O5 MolecularWeight: 291.25942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NCCN1C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=NCCN1C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C13H13N3O5/c1-8-14-3-4-15(8)12(17)9-5-10(13(18)21-2)7-11(6-9)16(19)20/h5-7H,3-4H2,1-2H3