N-[(E)-(4-chloranyl-2-methyl-phthalazin-1-ylidene)amino]-2,4,6-trinitro-aniline

Systemtic Name: N-[(E)-(4-chloranyl-2-methyl-phthalazin-1-ylidene)amino]-2,4,6-trinitro-aniline Openeye Name: N-[(E)-(4-chloro-2-methyl-phthalazin-1-ylidene)amino]-2,4,6-trinitro-aniline CAS Name: N-[(E)-(4-chloro-2-methyl-1-phthalazinylidene)amino]-2,4,6-trinitroaniline IUPAC Name: N-[(E)-(4-chloro-2-methylphthalazin-1-ylidene)amino]-2,4,6-trinitroaniline Traditional Name: [(E)-(4-chloro-2-methyl-phthalazin-1-ylidene)amino]-picryl-amine Formula: C15H10ClN7O6 MolecularWeight: 419.7362

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NNC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3C(=N1)Cl

Isomeric SMILES

CN1/C(=N/NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])/C3=CC=CC=C3C(=N1)Cl

InChI

InChI=1S/C15H10ClN7O6/c1-20-15(10-5-3-2-4-9(10)14(16)19-20)18-17-13-11(22(26)27)6-8(21(24)25)7-12(13)23(28)29/h2-7,17H,1H3/b18-15+