methyl 2-[(6-diazanyl-5-nitro-pyrimidin-4-yl)-methyl-amino]benzoate

Systemtic Name: methyl 2-[(6-diazanyl-5-nitro-pyrimidin-4-yl)-methyl-amino]benzoate Openeye Name: methyl 2-[(6-hydrazino-5-nitro-pyrimidin-4-yl)-methyl-amino]benzoate CAS Name: 2-[(6-hydrazinyl-5-nitro-4-pyrimidinyl)-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-methylamino]benzoate Traditional Name: 2-[(6-hydrazino-5-nitro-pyrimidin-4-yl)-methyl-amino]benzoic acid methyl ester Formula: C13H14N6O4 MolecularWeight: 318.28806

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])NN

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])NN

InChI

InChI=1S/C13H14N6O4/c1-18(9-6-4-3-5-8(9)13(20)23-2)12-10(19(21)22)11(17-14)15-7-16-12/h3-7H,14H2,1-2H3,(H,15,16,17)