(2S)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-5-oxidanylidene-2-pyridin-3-yl-1-(pyridin-3-ylmethyl)-2H-pyrrol-4-olate

Systemtic Name: (2S)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-5-oxidanylidene-2-pyridin-3-yl-1-(pyridin-3-ylmethyl)-2H-pyrrol-4-olate Openeye Name: (2S)-3-[(E)-3-(2-furyl)prop-2-enoyl]-5-oxo-2-(3-pyridyl)-1-(3-pyridylmethyl)-2H-pyrrol-4-olate CAS Name: (2S)-3-[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]-5-oxo-2-(3-pyridinyl)-1-(3-pyridinylmethyl)-2H-pyrrol-4-olate IUPAC Name: (2S)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-5-oxo-2-pyridin-3-yl-1-(pyridin-3-ylmethyl)-2H-pyrrol-4-olate Traditional Name: (5S)-4-[(E)-3-(2-furyl)acryloyl]-2-keto-5-(3-pyridyl)-1-(3-pyridylmethyl)-3-pyrrolin-3-olate Formula: C22H16N3O4- MolecularWeight: 386.38014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN2C(C(=C(C2=O)[O-])C(=O)C=CC3=CC=CO3)C4=CN=CC=C4

Isomeric SMILES

C1=CC(=CN=C1)CN2[C@H](C(=C(C2=O)[O-])C(=O)/C=C/C3=CC=CO3)C4=CN=CC=C4

InChI

InChI=1S/C22H17N3O4/c26-18(8-7-17-6-3-11-29-17)19-20(16-5-2-10-24-13-16)25(22(28)21(19)27)14-15-4-1-9-23-12-15/h1-13,20,27H,14H2/p-1/b8-7+/t20-/m0/s1