4-oxidanylidene-4-[(5S)-3-pyrrol-2-ylidene-5-quinoxalin-6-yl-pyrazolidin-1-yl]butanoate

Systemtic Name: 4-oxidanylidene-4-[(5S)-3-pyrrol-2-ylidene-5-quinoxalin-6-yl-pyrazolidin-1-yl]butanoate Openeye Name: 4-oxo-4-[(5S)-3-pyrrol-2-ylidene-5-quinoxalin-6-yl-pyrazolidin-1-yl]butanoate CAS Name: 4-oxo-4-[(5S)-3-(2-pyrrolylidene)-5-(6-quinoxalinyl)-1-pyrazolidinyl]butanoate IUPAC Name: 4-oxo-4-[(5S)-3-pyrrol-2-ylidene-5-quinoxalin-6-ylpyrazolidin-1-yl]butanoate Traditional Name: 4-keto-4-[(5S)-3-pyrrol-2-ylidene-5-quinoxalin-6-yl-pyrazolidin-1-yl]butyrate Formula: C19H16N5O3- MolecularWeight: 362.36204

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(NC1=C2C=CC=N2)C(=O)CCC(=O)[O-])C3=CC4=NC=CN=C4C=C3

Isomeric SMILES

C1[C@H](N(NC1=C2C=CC=N2)C(=O)CCC(=O)[O-])C3=CC4=NC=CN=C4C=C3

InChI

InChI=1S/C19H17N5O3/c25-18(5-6-19(26)27)24-17(11-16(23-24)13-2-1-7-20-13)12-3-4-14-15(10-12)22-9-8-21-14/h1-4,7-10,17,23H,5-6,11H2,(H,26,27)/p-1/t17-/m0/s1