N-(furan-2-ylmethyl)-4-methyl-N-(4-methyl-1-phenyl-pent-1-yn-3-yl)aniline; 2,4,6-trinitrophenol

Systemtic Name: N-(furan-2-ylmethyl)-4-methyl-N-(4-methyl-1-phenyl-pent-1-yn-3-yl)aniline; 2,4,6-trinitrophenol Openeye Name: N-(2-furylmethyl)-N-(1-isopropyl-3-phenyl-prop-2-ynyl)-4-methyl-aniline; picric acid CAS Name: N-(2-furanylmethyl)-4-methyl-N-(4-methyl-1-phenylpent-1-yn-3-yl)aniline; 2,4,6-trinitrophenol IUPAC Name: N-(furan-2-ylmethyl)-4-methyl-N-(4-methyl-1-phenylpent-1-yn-3-yl)aniline; 2,4,6-trinitrophenol Traditional Name: 2-furfuryl-(1-isopropyl-3-phenyl-prop-2-ynyl)-(p-tolyl)amine; picric acid Formula: C30H28N4O8 MolecularWeight: 572.56532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC2=CC=CO2)C(C#CC3=CC=CC=C3)C(C)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N(CC2=CC=CO2)C(C#CC3=CC=CC=C3)C(C)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C24H25NO.C6H3N3O7/c1-19(2)24(16-13-21-8-5-4-6-9-21)25(18-23-10-7-17-26-23)22-14-11-20(3)12-15-22;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-12,14-15,17,19,24H,18H2,1-3H3;1-2,10H