3-[(2E)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-butanoyl]oxypropyl 4-(2-imidazol-1-ylethoxy)benzoate

Systemtic Name: 3-[(2E)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-butanoyl]oxypropyl 4-(2-imidazol-1-ylethoxy)benzoate Openeye Name: 3-[(2E)-2-[(3-nitrophenyl)methylene]-3-oxo-butanoyl]oxypropyl 4-(2-imidazol-1-ylethoxy)benzoate CAS Name: 4-[2-(1-imidazolyl)ethoxy]benzoic acid 3-[(2E)-2-[(3-nitrophenyl)methylidene]-1,3-dioxobutoxy]propyl ester IUPAC Name: 3-[(2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoyl]oxypropyl 4-(2-imidazol-1-ylethoxy)benzoate Traditional Name: 4-(2-imidazol-1-ylethoxy)benzoic acid 3-[(E)-2-acetyl-3-(3-nitrophenyl)acryloyl]oxypropyl ester Formula: C26H25N3O8 MolecularWeight: 507.492

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)OCCCOC(=O)C2=CC=C(C=C2)OCCN3C=CN=C3

Isomeric SMILES

CC(=O)/C(=C\C1=CC(=CC=C1)[N+](=O)[O-])/C(=O)OCCCOC(=O)C2=CC=C(C=C2)OCCN3C=CN=C3

InChI

InChI=1S/C26H25N3O8/c1-19(30)24(17-20-4-2-5-22(16-20)29(33)34)26(32)37-14-3-13-36-25(31)21-6-8-23(9-7-21)35-15-12-28-11-10-27-18-28/h2,4-11,16-18H,3,12-15H2,1H3/b24-17+