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

Systemtic Name: 2-(4-methoxy-1,3-dimethyl-2-nitro-4-phenyl-cyclohexa-2,5-dien-1-yl)propanedioic acid Openeye Name: 2-(4-methoxy-1,3-dimethyl-2-nitro-4-phenyl-cyclohexa-2,5-dien-1-yl)propanedioic acid CAS Name: 2-(4-methoxy-1,3-dimethyl-2-nitro-4-phenyl-1-cyclohexa-2,5-dienyl)propanedioic acid IUPAC Name: 2-(4-methoxy-1,3-dimethyl-2-nitro-4-phenylcyclohexa-2,5-dien-1-yl)propanedioic acid Traditional Name: 2-(4-methoxy-1,3-dimethyl-2-nitro-4-phenyl-cyclohexa-2,5-dien-1-yl)malonic acid Formula: C18H19NO7 MolecularWeight: 361.34596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO7/c1-11-14(19(24)25)17(2,13(15(20)21)16(22)23)9-10-18(11,26-3)12-7-5-4-6-8-12/h4-10,13H,1-3H3,(H,20,21)(H,22,23)