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

Systemtic Name: [1-(thiophen-2-ylmethyl)piperidin-3-yl] (2E)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: [1-(2-thienylmethyl)-3-piperidyl] (2E)-2-[(3-nitrophenyl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoic acid [1-(thiophen-2-ylmethyl)-3-piperidinyl] ester IUPAC Name: [1-(thiophen-2-ylmethyl)piperidin-3-yl] (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(3-nitrophenyl)acrylic acid [1-(2-thenyl)-3-piperidyl] ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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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=CS3

Isomeric SMILES

CC(=O)/C(=C\C1=CC(=CC=C1)[N+](=O)[O-])/C(=O)OC2CCCN(C2)CC3=CC=CS3

InChI

InChI=1S/C21H22N2O5S/c1-15(24)20(12-16-5-2-6-17(11-16)23(26)27)21(25)28-18-7-3-9-22(13-18)14-19-8-4-10-29-19/h2,4-6,8,10-12,18H,3,7,9,13-14H2,1H3/b20-12+