N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-6-[2-(4-nitrophenyl)hydrazino]pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-6-[(4-nitrophenyl)hydrazo]-4-pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine Traditional Name: [5-nitro-6-[N'-(4-nitrophenyl)hydrazino]pyrimidin-4-yl]-piperonyl-amine Formula: C18H15N7O6 MolecularWeight: 425.355

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)NNC4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)NNC4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H15N7O6/c26-24(27)13-4-2-12(3-5-13)22-23-18-16(25(28)29)17(20-9-21-18)19-8-11-1-6-14-15(7-11)31-10-30-14/h1-7,9,22H,8,10H2,(H2,19,20,21,23)