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

Systemtic Name: 2-(4-methoxy-1,3-dimethyl-2-nitro-4-phenyl-cyclohexa-2,5-dien-1-yl)propanedioate Openeye Name: 2-(4-methoxy-1,3-dimethyl-2-nitro-4-phenyl-cyclohexa-2,5-dien-1-yl)propanedioate CAS Name: 2-(4-methoxy-1,3-dimethyl-2-nitro-4-phenyl-1-cyclohexa-2,5-dienyl)propanedioate IUPAC Name: 2-(4-methoxy-1,3-dimethyl-2-nitro-4-phenylcyclohexa-2,5-dien-1-yl)propanedioate Traditional Name: 2-(4-methoxy-1,3-dimethyl-2-nitro-4-phenyl-cyclohexa-2,5-dien-1-yl)malonate Formula: C18H17NO7-2 MolecularWeight: 359.33008

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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)/p-2