2-[(E)-2-(6-bromanyl-2H-chromen-3-yl)ethenyl]-5-nitro-pyridine-3-carboxylic acid

Systemtic Name: 2-[(E)-2-(6-bromanyl-2H-chromen-3-yl)ethenyl]-5-nitro-pyridine-3-carboxylic acid Openeye Name: 2-[(E)-2-(6-bromo-2H-chromen-3-yl)vinyl]-5-nitro-pyridine-3-carboxylic acid CAS Name: 2-[(E)-2-(6-bromo-2H-1-benzopyran-3-yl)ethenyl]-5-nitro-3-pyridinecarboxylic acid IUPAC Name: 2-[(E)-2-(6-bromo-2H-chromen-3-yl)ethenyl]-5-nitropyridine-3-carboxylic acid Traditional Name: 2-[(E)-2-(6-bromo-2H-chromen-3-yl)vinyl]-5-nitro-nicotinic acid Formula: C17H11BrN2O5 MolecularWeight: 403.18364

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC2=C(O1)C=CC(=C2)Br)C=CC3=NC=C(C=C3C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1C(=CC2=C(O1)C=CC(=C2)Br)/C=C/C3=NC=C(C=C3C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H11BrN2O5/c18-12-2-4-16-11(6-12)5-10(9-25-16)1-3-15-14(17(21)22)7-13(8-19-15)20(23)24/h1-8H,9H2,(H,21,22)/b3-1+