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

Systemtic Name: [1-(phenylmethyl)piperidin-3-yl] (2E)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: (1-benzyl-3-piperidyl) (2E)-2-[(3-nitrophenyl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoic acid [1-(phenylmethyl)-3-piperidinyl] ester IUPAC Name: (1-benzylpiperidin-3-yl) (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(3-nitrophenyl)acrylic acid (1-benzyl-3-piperidyl) ester Formula: C23H24N2O5 MolecularWeight: 408.44706

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)OC2CCCN(C2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)/C(=C\C1=CC(=CC=C1)[N+](=O)[O-])/C(=O)OC2CCCN(C2)CC3=CC=CC=C3

InChI

InChI=1S/C23H24N2O5/c1-17(26)22(14-19-9-5-10-20(13-19)25(28)29)23(27)30-21-11-6-12-24(16-21)15-18-7-3-2-4-8-18/h2-5,7-10,13-14,21H,6,11-12,15-16H2,1H3/b22-14+