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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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