4-nitro-N,1-bis(2,4,6-trinitrophenyl)pyrazol-3-amine

Systemtic Name: 4-nitro-N,1-bis(2,4,6-trinitrophenyl)pyrazol-3-amine Openeye Name: 4-nitro-N,1-bis(2,4,6-trinitrophenyl)pyrazol-3-amine CAS Name: 4-nitro-N,1-bis(2,4,6-trinitrophenyl)-3-pyrazolamine IUPAC Name: 4-nitro-N,1-bis(2,4,6-trinitrophenyl)pyrazol-3-amine Traditional Name: (4-nitro-1-picryl-pyrazol-3-yl)-picryl-amine Formula: C15H6N10O14 MolecularWeight: 550.26674

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])NC2=NN(C=C2[N+](=O)[O-])C3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])NC2=NN(C=C2[N+](=O)[O-])C3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H6N10O14/c26-19(27)6-1-8(21(30)31)13(9(2-6)22(32)33)16-15-12(25(38)39)5-18(17-15)14-10(23(34)35)3-7(20(28)29)4-11(14)24(36)37/h1-5H,(H,16,17)