5-[2-oxidanyl-1,3-bis(oxidanylidene)inden-2-yl]penta-3,4-dienyl 4-nitrobenzoate

Systemtic Name: 5-[2-oxidanyl-1,3-bis(oxidanylidene)inden-2-yl]penta-3,4-dienyl 4-nitrobenzoate Openeye Name: 5-(2-hydroxy-1,3-dioxo-indan-2-yl)penta-3,4-dienyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 5-(2-hydroxy-1,3-dioxo-2-indenyl)penta-3,4-dienyl ester IUPAC Name: 5-(2-hydroxy-1,3-dioxoinden-2-yl)penta-3,4-dienyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 5-(2-hydroxy-1,3-diketo-indan-2-yl)penta-3,4-dienyl ester Formula: C21H15NO7 MolecularWeight: 393.3463

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(C2=O)(C=C=CCCOC(=O)C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(C2=O)(C=C=CCCOC(=O)C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C21H15NO7/c23-18-16-6-2-3-7-17(16)19(24)21(18,26)12-4-1-5-13-29-20(25)14-8-10-15(11-9-14)22(27)28/h1-3,6-12,26H,5,13H2