(4-nitrophenyl) 3-[4,5-dimethoxy-2-methyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]propanoate

Systemtic Name: (4-nitrophenyl) 3-[4,5-dimethoxy-2-methyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]propanoate Openeye Name: (4-nitrophenyl) 3-(4,5-dimethoxy-2-methyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)propanoate CAS Name: 3-(4,5-dimethoxy-2-methyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)propanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 3-(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)propanoate Traditional Name: 3-(3,6-diketo-4,5-dimethoxy-2-methyl-cyclohexa-1,4-dien-1-yl)propionic acid (4-nitrophenyl) ester Formula: C18H17NO8 MolecularWeight: 375.32948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(C1=O)OC)OC)CCC(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)C(=C(C1=O)OC)OC)CCC(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H17NO8/c1-10-13(16(22)18(26-3)17(25-2)15(10)21)8-9-14(20)27-12-6-4-11(5-7-12)19(23)24/h4-7H,8-9H2,1-3H3