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

Systemtic Name: 2-methylpropyl 4-[(6-diazanyl-5-nitro-pyrimidin-4-yl)amino]benzoate Openeye Name: isobutyl 4-[(6-hydrazino-5-nitro-pyrimidin-4-yl)amino]benzoate CAS Name: 4-[(6-hydrazinyl-5-nitro-4-pyrimidinyl)amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]benzoate Traditional Name: 4-[(6-hydrazino-5-nitro-pyrimidin-4-yl)amino]benzoic acid isobutyl ester Formula: C15H18N6O4 MolecularWeight: 346.34122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NN)[N+](=O)[O-]

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NN)[N+](=O)[O-]

InChI

InChI=1S/C15H18N6O4/c1-9(2)7-25-15(22)10-3-5-11(6-4-10)19-13-12(21(23)24)14(20-16)18-8-17-13/h3-6,8-9H,7,16H2,1-2H3,(H2,17,18,19,20)