(E)-N,N-dimethyl-4,5-diphenyl-hept-4-en-2-amine; 2,4,6-trinitrophenol

Systemtic Name: (E)-N,N-dimethyl-4,5-diphenyl-hept-4-en-2-amine; 2,4,6-trinitrophenol Openeye Name: (E)-N,N-dimethyl-4,5-diphenyl-hept-4-en-2-amine; picric acid CAS Name: (E)-N,N-dimethyl-4,5-diphenyl-4-hepten-2-amine; 2,4,6-trinitrophenol IUPAC Name: (E)-N,N-dimethyl-4,5-diphenylhept-4-en-2-amine; 2,4,6-trinitrophenol Traditional Name: dimethyl-[(E)-1-methyl-3,4-diphenyl-hex-3-enyl]amine; picric acid Formula: C27H30N4O7 MolecularWeight: 522.5497

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(CC(C)N(C)C)C1=CC=CC=C1)C2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC/C(=C(/CC(C)N(C)C)\C1=CC=CC=C1)/C2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H27N.C6H3N3O7/c1-5-20(18-12-8-6-9-13-18)21(16-17(2)22(3)4)19-14-10-7-11-15-19;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h6-15,17H,5,16H2,1-4H3;1-2,10H/b21-20+;