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

Systemtic Name: ethyl 3-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(4,6-dimethyl-2-pyrimidinyl)hydrazo]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C16H17N5O5 MolecularWeight: 359.33668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NNC2=NC(=CC(=N2)C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NNC2=NC(=CC(=N2)C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H17N5O5/c1-4-26-15(23)12-6-11(7-13(8-12)21(24)25)14(22)19-20-16-17-9(2)5-10(3)18-16/h5-8H,4H2,1-3H3,(H,19,22)(H,17,18,20)