2-[1-(4-methoxy-2-nitro-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[1-(4-methoxy-2-nitro-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[1-(4-methoxy-2-nitro-phenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[1-(4-methoxy-2-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[1-(4-methoxy-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2,5-diketo-1-(4-methoxy-2-nitro-phenyl)pyrrolidin-3-yl]thio]nicotinic acid Formula: C17H13N3O7S MolecularWeight: 403.36602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2C(=O)CC(C2=O)SC3=C(C=CC=N3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)N2C(=O)CC(C2=O)SC3=C(C=CC=N3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O7S/c1-27-9-4-5-11(12(7-9)20(25)26)19-14(21)8-13(16(19)22)28-15-10(17(23)24)3-2-6-18-15/h2-7,13H,8H2,1H3,(H,23,24)