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

Systemtic Name: [1-(pyridin-3-ylmethyl)piperidin-3-yl] (2E)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: [1-(3-pyridylmethyl)-3-piperidyl] (2E)-2-[(3-nitrophenyl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoic acid [1-(3-pyridinylmethyl)-3-piperidinyl] ester IUPAC Name: [1-(pyridin-3-ylmethyl)piperidin-3-yl] (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(3-nitrophenyl)acrylic acid [1-(3-pyridylmethyl)-3-piperidyl] ester Formula: C22H23N3O5 MolecularWeight: 409.43512

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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=CN=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O5/c1-16(26)21(12-17-5-2-7-19(11-17)25(28)29)22(27)30-20-8-4-10-24(15-20)14-18-6-3-9-23-13-18/h2-3,5-7,9,11-13,20H,4,8,10,14-15H2,1H3/b21-12+