2-chloranyl-5-methoxy-N1-(2,4,6-trinitrophenyl)benzene-1,4-diamine

Systemtic Name: 2-chloranyl-5-methoxy-N1-(2,4,6-trinitrophenyl)benzene-1,4-diamine Openeye Name: 2-chloro-5-methoxy-N1-(2,4,6-trinitrophenyl)benzene-1,4-diamine CAS Name: 2-chloro-5-methoxy-N1-(2,4,6-trinitrophenyl)benzene-1,4-diamine IUPAC Name: 2-chloro-5-methoxy-1-N-(2,4,6-trinitrophenyl)benzene-1,4-diamine Traditional Name: (4-amino-2-chloro-5-methoxy-phenyl)-picryl-amine Formula: C13H10ClN5O7 MolecularWeight: 383.7008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10ClN5O7/c1-26-12-5-9(7(14)4-8(12)15)16-13-10(18(22)23)2-6(17(20)21)3-11(13)19(24)25/h2-5,16H,15H2,1H3