[1-(phenylmethyl)pyrrolidin-3-yl] (E)-5-(3-nitrophenyl)-3-oxidanylidene-pent-4-enoate

Systemtic Name: [1-(phenylmethyl)pyrrolidin-3-yl] (E)-5-(3-nitrophenyl)-3-oxidanylidene-pent-4-enoate Openeye Name: (1-benzylpyrrolidin-3-yl) (E)-5-(3-nitrophenyl)-3-oxo-pent-4-enoate CAS Name: (E)-5-(3-nitrophenyl)-3-oxo-4-pentenoic acid [1-(phenylmethyl)-3-pyrrolidinyl] ester IUPAC Name: (1-benzylpyrrolidin-3-yl) (E)-5-(3-nitrophenyl)-3-oxopent-4-enoate Traditional Name: (E)-3-keto-5-(3-nitrophenyl)pent-4-enoic acid (1-benzylpyrrolidin-3-yl) ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1OC(=O)CC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC1OC(=O)CC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O5/c25-20(10-9-17-7-4-8-19(13-17)24(27)28)14-22(26)29-21-11-12-23(16-21)15-18-5-2-1-3-6-18/h1-10,13,21H,11-12,14-16H2/b10-9+