[1-(phenylmethyl)pyrrolidin-3-yl] (2E)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-butanoate

Systemtic Name: [1-(phenylmethyl)pyrrolidin-3-yl] (2E)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: (1-benzylpyrrolidin-3-yl) (2E)-2-[(3-nitrophenyl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoic acid [1-(phenylmethyl)-3-pyrrolidinyl] ester IUPAC Name: (1-benzylpyrrolidin-3-yl) (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(3-nitrophenyl)acrylic acid (1-benzylpyrrolidin-3-yl) ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)OC2CCN(C2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)/C(=C\C1=CC(=CC=C1)[N+](=O)[O-])/C(=O)OC2CCN(C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O5/c1-16(25)21(13-18-8-5-9-19(12-18)24(27)28)22(26)29-20-10-11-23(15-20)14-17-6-3-2-4-7-17/h2-9,12-13,20H,10-11,14-15H2,1H3/b21-13+