N1,N4-bis[(E)-(2,6-dinitrophenyl)methylideneamino]phthalazine-1,4-diamine

Systemtic Name: N1,N4-bis[(E)-(2,6-dinitrophenyl)methylideneamino]phthalazine-1,4-diamine Openeye Name: N1,N4-bis[(E)-(2,6-dinitrophenyl)methyleneamino]phthalazine-1,4-diamine CAS Name: N1,N4-bis[(E)-(2,6-dinitrophenyl)methylideneamino]phthalazine-1,4-diamine IUPAC Name: 1-N,4-N-bis[(E)-(2,6-dinitrophenyl)methylideneamino]phthalazine-1,4-diamine Traditional Name: [(E)-(2,6-dinitrobenzylidene)amino]-[4-[(N'E)-N'-(2,6-dinitrobenzylidene)hydrazino]phthalazin-1-yl]amine Formula: C22H14N10O8 MolecularWeight: 546.40876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN=C2NN=CC3=C(C=CC=C3[N+](=O)[O-])[N+](=O)[O-])NN=CC4=C(C=CC=C4[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=NN=C(C2=C1)N/N=C/C3=C(C=CC=C3[N+](=O)[O-])[N+](=O)[O-])N/N=C/C4=C(C=CC=C4[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H14N10O8/c33-29(34)17-7-3-8-18(30(35)36)15(17)11-23-25-21-13-5-1-2-6-14(13)22(28-27-21)26-24-12-16-19(31(37)38)9-4-10-20(16)32(39)40/h1-12H,(H,25,27)(H,26,28)/b23-11+,24-12+