6-[(E)-3-(4-methoxy-2-nitro-3-oxidanyl-phenyl)prop-2-enoyl]-3-methyl-5-nitro-pyridine-2-carboxylic acid

Systemtic Name: 6-[(E)-3-(4-methoxy-2-nitro-3-oxidanyl-phenyl)prop-2-enoyl]-3-methyl-5-nitro-pyridine-2-carboxylic acid Openeye Name: 6-[(E)-3-(3-hydroxy-4-methoxy-2-nitro-phenyl)prop-2-enoyl]-3-methyl-5-nitro-pyridine-2-carboxylic acid CAS Name: 6-[(E)-3-(3-hydroxy-4-methoxy-2-nitrophenyl)-1-oxoprop-2-enyl]-3-methyl-5-nitro-2-pyridinecarboxylic acid IUPAC Name: 6-[(E)-3-(3-hydroxy-4-methoxy-2-nitrophenyl)prop-2-enoyl]-3-methyl-5-nitropyridine-2-carboxylic acid Traditional Name: 6-[(E)-3-(3-hydroxy-4-methoxy-2-nitro-phenyl)acryloyl]-3-methyl-5-nitro-picolinic acid Formula: C17H13N3O9 MolecularWeight: 403.29982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N=C1C(=O)O)C(=O)C=CC2=C(C(=C(C=C2)OC)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N=C1C(=O)O)C(=O)/C=C/C2=C(C(=C(C=C2)OC)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O9/c1-8-7-10(19(25)26)14(18-13(8)17(23)24)11(21)5-3-9-4-6-12(29-2)16(22)15(9)20(27)28/h3-7,22H,1-2H3,(H,23,24)/b5-3+