methyl (Z)-3-phenyl-2-(piperidin-1-ylmethyl)prop-2-enoate; 2,4,6-trinitrophenol

Systemtic Name: methyl (Z)-3-phenyl-2-(piperidin-1-ylmethyl)prop-2-enoate; 2,4,6-trinitrophenol Openeye Name: methyl (Z)-3-phenyl-2-(1-piperidylmethyl)prop-2-enoate; picric acid CAS Name: (Z)-3-phenyl-2-(1-piperidinylmethyl)-2-propenoic acid methyl ester; 2,4,6-trinitrophenol IUPAC Name: methyl (Z)-3-phenyl-2-(piperidin-1-ylmethyl)prop-2-enoate; 2,4,6-trinitrophenol Traditional Name: (Z)-3-phenyl-2-(piperidinomethyl)acrylic acid methyl ester; picric acid Formula: C22H24N4O9 MolecularWeight: 488.44736

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=CC=CC=C1)CN2CCCCC2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)/C(=C\C1=CC=CC=C1)/CN2CCCCC2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H21NO2.C6H3N3O7/c1-19-16(18)15(12-14-8-4-2-5-9-14)13-17-10-6-3-7-11-17;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2,4-5,8-9,12H,3,6-7,10-11,13H2,1H3;1-2,10H/b15-12-;