2-(4-ethoxy-1,3-dimethyl-2-nitro-4-phenyl-cyclohexa-2,5-dien-1-yl)propanedioic acid

Systemtic Name: 2-(4-ethoxy-1,3-dimethyl-2-nitro-4-phenyl-cyclohexa-2,5-dien-1-yl)propanedioic acid Openeye Name: 2-(4-ethoxy-1,3-dimethyl-2-nitro-4-phenyl-cyclohexa-2,5-dien-1-yl)propanedioic acid CAS Name: 2-(4-ethoxy-1,3-dimethyl-2-nitro-4-phenyl-1-cyclohexa-2,5-dienyl)propanedioic acid IUPAC Name: 2-(4-ethoxy-1,3-dimethyl-2-nitro-4-phenylcyclohexa-2,5-dien-1-yl)propanedioic acid Traditional Name: 2-(4-ethoxy-1,3-dimethyl-2-nitro-4-phenyl-cyclohexa-2,5-dien-1-yl)malonic acid Formula: C19H21NO7 MolecularWeight: 375.37254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1(C=CC(C(=C1C)[N+](=O)[O-])(C)C(C(=O)O)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCOC1(C=CC(C(=C1C)[N+](=O)[O-])(C)C(C(=O)O)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C19H21NO7/c1-4-27-19(13-8-6-5-7-9-13)11-10-18(3,14(16(21)22)17(23)24)15(12(19)2)20(25)26/h5-11,14H,4H2,1-3H3,(H,21,22)(H,23,24)