(E)-3-[2-[butyl(methyl)amino]-5-nitro-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-[butyl(methyl)amino]-5-nitro-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-[butyl(methyl)amino]-5-nitro-phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-[butyl(methyl)amino]-5-nitrophenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-[butyl(methyl)amino]-5-nitrophenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-[butyl(methyl)amino]-5-nitro-phenyl]acrylic acid Formula: C14H18N2O4 MolecularWeight: 278.30372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O4/c1-3-4-9-15(2)13-7-6-12(16(19)20)10-11(13)5-8-14(17)18/h5-8,10H,3-4,9H2,1-2H3,(H,17,18)/b8-5+