methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(4,6-dimethyl-2-pyrimidinyl)amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C15H14N4O5 MolecularWeight: 330.29546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)C

InChI

InChI=1S/C15H14N4O5/c1-8-4-9(2)17-15(16-8)18-13(20)10-5-11(14(21)24-3)7-12(6-10)19(22)23/h4-7H,1-3H3,(H,16,17,18,20)