[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[methyl(pyrimidin-2-yl)amino]ethanoate

Systemtic Name: [2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[methyl(pyrimidin-2-yl)amino]ethanoate Openeye Name: [2-(2-methyl-4-nitro-anilino)-2-oxo-ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate CAS Name: 2-[methyl(2-pyrimidinyl)amino]acetic acid [2-(2-methyl-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-nitroanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate Traditional Name: 2-[methyl(2-pyrimidyl)amino]acetic acid [2-keto-2-(2-methyl-4-nitro-anilino)ethyl] ester Formula: C16H17N5O5 MolecularWeight: 359.33668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)CN(C)C2=NC=CC=N2

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)CN(C)C2=NC=CC=N2

InChI

InChI=1S/C16H17N5O5/c1-11-8-12(21(24)25)4-5-13(11)19-14(22)10-26-15(23)9-20(2)16-17-6-3-7-18-16/h3-8H,9-10H2,1-2H3,(H,19,22)