2-[2-[(E)-(6-acetyloxy-3-oxidanylidene-1H-inden-2-ylidene)methyl]-5-nitro-imidazol-1-yl]ethyl benzoate

Systemtic Name: 2-[2-[(E)-(6-acetyloxy-3-oxidanylidene-1H-inden-2-ylidene)methyl]-5-nitro-imidazol-1-yl]ethyl benzoate Openeye Name: 2-[2-[(E)-(5-acetoxy-1-oxo-indan-2-ylidene)methyl]-5-nitro-imidazol-1-yl]ethyl benzoate CAS Name: benzoic acid 2-[2-[(E)-(6-acetyloxy-3-oxo-1H-inden-2-ylidene)methyl]-5-nitro-1-imidazolyl]ethyl ester IUPAC Name: 2-[2-[(E)-(6-acetyloxy-3-oxo-1H-inden-2-ylidene)methyl]-5-nitroimidazol-1-yl]ethyl benzoate Traditional Name: benzoic acid 2-[2-[(E)-(5-acetoxy-1-keto-indan-2-ylidene)methyl]-5-nitro-imidazol-1-yl]ethyl ester Formula: C24H19N3O7 MolecularWeight: 461.42356

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CC3=NC=C(N3CCOC(=O)C4=CC=CC=C4)[N+](=O)[O-])C2

Isomeric SMILES

CC(=O)OC1=CC2=C(C=C1)C(=O)/C(=C/C3=NC=C(N3CCOC(=O)C4=CC=CC=C4)[N+](=O)[O-])/C2

InChI

InChI=1S/C24H19N3O7/c1-15(28)34-19-7-8-20-17(12-19)11-18(23(20)29)13-21-25-14-22(27(31)32)26(21)9-10-33-24(30)16-5-3-2-4-6-16/h2-8,12-14H,9-11H2,1H3/b18-13+