2-pyrrolidin-1-ylethyl 4-[(E)-2-(1-ethenyl-5-nitro-imidazol-2-yl)ethenyl]benzoate

Systemtic Name: 2-pyrrolidin-1-ylethyl 4-[(E)-2-(1-ethenyl-5-nitro-imidazol-2-yl)ethenyl]benzoate Openeye Name: 2-pyrrolidin-1-ylethyl 4-[(E)-2-(5-nitro-1-vinyl-imidazol-2-yl)vinyl]benzoate CAS Name: 4-[(E)-2-(1-ethenyl-5-nitro-2-imidazolyl)ethenyl]benzoic acid 2-(1-pyrrolidinyl)ethyl ester IUPAC Name: 2-pyrrolidin-1-ylethyl 4-[(E)-2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate Traditional Name: 4-[(E)-2-(5-nitro-1-vinyl-imidazol-2-yl)vinyl]benzoic acid 2-pyrrolidinoethyl ester Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

C=CN1C(=CN=C1C=CC2=CC=C(C=C2)C(=O)OCCN3CCCC3)[N+](=O)[O-]

Isomeric SMILES

C=CN1C(=CN=C1/C=C/C2=CC=C(C=C2)C(=O)OCCN3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O4/c1-2-23-18(21-15-19(23)24(26)27)10-7-16-5-8-17(9-6-16)20(25)28-14-13-22-11-3-4-12-22/h2,5-10,15H,1,3-4,11-14H2/b10-7+