[1-[5-nitro-2-[(3-nitrophenyl)amino]pyrimidin-4-yl]piperidin-3-yl]methanol

Systemtic Name: [1-[5-nitro-2-[(3-nitrophenyl)amino]pyrimidin-4-yl]piperidin-3-yl]methanol Openeye Name: [1-[5-nitro-2-(3-nitroanilino)pyrimidin-4-yl]-3-piperidyl]methanol CAS Name: [1-[5-nitro-2-(3-nitroanilino)-4-pyrimidinyl]-3-piperidinyl]methanol IUPAC Name: [1-[5-nitro-2-(3-nitroanilino)pyrimidin-4-yl]piperidin-3-yl]methanol Traditional Name: [1-[5-nitro-2-(3-nitroanilino)pyrimidin-4-yl]-3-piperidyl]methanol Formula: C16H18N6O5 MolecularWeight: 374.35132

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC(=CC=C3)[N+](=O)[O-])CO

Isomeric SMILES

C1CC(CN(C1)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC(=CC=C3)[N+](=O)[O-])CO

InChI

InChI=1S/C16H18N6O5/c23-10-11-3-2-6-20(9-11)15-14(22(26)27)8-17-16(19-15)18-12-4-1-5-13(7-12)21(24)25/h1,4-5,7-8,11,23H,2-3,6,9-10H2,(H,17,18,19)