methyl (Z)-2-[(2-methylpiperidin-1-yl)methyl]-3-phenyl-prop-2-enoate; 2,4,6-trinitrophenol

Systemtic Name: methyl (Z)-2-[(2-methylpiperidin-1-yl)methyl]-3-phenyl-prop-2-enoate; 2,4,6-trinitrophenol Openeye Name: methyl (Z)-2-[(2-methyl-1-piperidyl)methyl]-3-phenyl-prop-2-enoate; picric acid CAS Name: (Z)-2-[(2-methyl-1-piperidinyl)methyl]-3-phenyl-2-propenoic acid methyl ester; 2,4,6-trinitrophenol IUPAC Name: methyl (Z)-2-[(2-methylpiperidin-1-yl)methyl]-3-phenylprop-2-enoate; 2,4,6-trinitrophenol Traditional Name: (Z)-2-[(2-methylpiperidino)methyl]-3-phenyl-acrylic acid methyl ester; picric acid Formula: C23H26N4O9 MolecularWeight: 502.47394

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CC(=CC2=CC=CC=C2)C(=O)OC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1CCCCN1C/C(=C/C2=CC=CC=C2)/C(=O)OC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H23NO2.C6H3N3O7/c1-14-8-6-7-11-18(14)13-16(17(19)20-2)12-15-9-4-3-5-10-15;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-5,9-10,12,14H,6-8,11,13H2,1-2H3;1-2,10H/b16-12-;