methyl 2-[methyl-(5-nitro-6-phenylazanyl-pyrimidin-4-yl)amino]ethanoate

Systemtic Name: methyl 2-[methyl-(5-nitro-6-phenylazanyl-pyrimidin-4-yl)amino]ethanoate Openeye Name: methyl 2-[(6-anilino-5-nitro-pyrimidin-4-yl)-methyl-amino]acetate CAS Name: 2-[(6-anilino-5-nitro-4-pyrimidinyl)-methylamino]acetic acid methyl ester IUPAC Name: methyl 2-[(6-anilino-5-nitropyrimidin-4-yl)-methylamino]acetate Traditional Name: 2-[(6-anilino-5-nitro-pyrimidin-4-yl)-methyl-amino]acetic acid methyl ester Formula: C14H15N5O4 MolecularWeight: 317.3

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OC)C1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC=C2

Isomeric SMILES

CN(CC(=O)OC)C1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC=C2

InChI

InChI=1S/C14H15N5O4/c1-18(8-11(20)23-2)14-12(19(21)22)13(15-9-16-14)17-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,15,16,17)