[2-nitro-3-[(E)-2-pyrrolidin-1-ylethenyl]phenyl]methyl 2,2-dimethylpropanoate

Systemtic Name: [2-nitro-3-[(E)-2-pyrrolidin-1-ylethenyl]phenyl]methyl 2,2-dimethylpropanoate Openeye Name: [2-nitro-3-[(E)-2-pyrrolidin-1-ylvinyl]phenyl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-nitro-3-[(E)-2-(1-pyrrolidinyl)ethenyl]phenyl]methyl ester IUPAC Name: [2-nitro-3-[(E)-2-pyrrolidin-1-ylethenyl]phenyl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-nitro-3-[(E)-2-pyrrolidinovinyl]benzyl] ester Formula: C18H24N2O4 MolecularWeight: 332.39416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCC1=CC=CC(=C1[N+](=O)[O-])C=CN2CCCC2

Isomeric SMILES

CC(C)(C)C(=O)OCC1=CC=CC(=C1[N+](=O)[O-])/C=C/N2CCCC2

InChI

InChI=1S/C18H24N2O4/c1-18(2,3)17(21)24-13-15-8-6-7-14(16(15)20(22)23)9-12-19-10-4-5-11-19/h6-9,12H,4-5,10-11,13H2,1-3H3/b12-9+