N-(2-methoxy-4-nitro-phenyl)-2,4,6-trinitro-aniline

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)-2,4,6-trinitro-aniline Openeye Name: N-(2-methoxy-4-nitro-phenyl)-2,4,6-trinitro-aniline CAS Name: N-(2-methoxy-4-nitrophenyl)-2,4,6-trinitroaniline IUPAC Name: N-(2-methoxy-4-nitrophenyl)-2,4,6-trinitroaniline Traditional Name: (2-methoxy-4-nitro-phenyl)-picryl-amine Formula: C13H9N5O9 MolecularWeight: 379.23866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H9N5O9/c1-27-12-6-7(15(19)20)2-3-9(12)14-13-10(17(23)24)4-8(16(21)22)5-11(13)18(25)26/h2-6,14H,1H3