(E)-3-[4-(3-methylpiperidin-1-yl)-3-nitro-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(3-methylpiperidin-1-yl)-3-nitro-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(3-methyl-1-piperidyl)-3-nitro-phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-(3-methyl-1-piperidinyl)-3-nitrophenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(3-methylpiperidin-1-yl)-3-nitrophenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(3-methylpiperidino)-3-nitro-phenyl]acrylic acid Formula: C15H18N2O4 MolecularWeight: 290.31442

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C=CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)/C=C/C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H18N2O4/c1-11-3-2-8-16(10-11)13-6-4-12(5-7-15(18)19)9-14(13)17(20)21/h4-7,9,11H,2-3,8,10H2,1H3,(H,18,19)/b7-5+