2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-5-nitro-pyridine-3-carboxylic acid

Systemtic Name: 2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-5-nitro-pyridine-3-carboxylic acid Openeye Name: 2-[(E)-2-(3,4-dimethylphenyl)vinyl]-5-nitro-pyridine-3-carboxylic acid CAS Name: 2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-5-nitro-3-pyridinecarboxylic acid IUPAC Name: 2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-5-nitropyridine-3-carboxylic acid Traditional Name: 2-[(E)-2-(3,4-dimethylphenyl)vinyl]-5-nitro-nicotinic acid Formula: C16H14N2O4 MolecularWeight: 298.29336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CC2=NC=C(C=C2C(=O)O)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/C2=NC=C(C=C2C(=O)O)[N+](=O)[O-])C

InChI

InChI=1S/C16H14N2O4/c1-10-3-4-12(7-11(10)2)5-6-15-14(16(19)20)8-13(9-17-15)18(21)22/h3-9H,1-2H3,(H,19,20)/b6-5+