N5,N8-bis(2,4,6-trinitrophenyl)pyrazino[2,3-d]pyridazine-5,8-diamine

Systemtic Name: N5,N8-bis(2,4,6-trinitrophenyl)pyrazino[2,3-d]pyridazine-5,8-diamine Openeye Name: N5,N8-bis(2,4,6-trinitrophenyl)pyrazino[2,3-d]pyridazine-5,8-diamine CAS Name: N5,N8-bis(2,4,6-trinitrophenyl)pyrazino[2,3-d]pyridazine-5,8-diamine IUPAC Name: 5-N,8-N-bis(2,4,6-trinitrophenyl)pyrazino[2,3-d]pyridazine-5,8-diamine Traditional Name: picryl-[5-(2,4,6-trinitroanilino)pyrazino[2,3-d]pyridazin-8-yl]amine Formula: C18H8N12O12 MolecularWeight: 584.32932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C2C(=N1)C(=NN=C2NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])NC4=C(C=C(C=C4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CN=C2C(=N1)C(=NN=C2NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])NC4=C(C=C(C=C4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H8N12O12/c31-25(32)7-3-9(27(35)36)13(10(4-7)28(37)38)21-17-15-16(20-2-1-19-15)18(24-23-17)22-14-11(29(39)40)5-8(26(33)34)6-12(14)30(41)42/h1-6H,(H,21,23)(H,22,24)