4-[(3E,5S)-3-(6-chloranyl-2-oxidanylidene-4-phenyl-quinolin-1-ium-3-ylidene)-5-phenyl-pyrazolidin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(3E,5S)-3-(6-chloranyl-2-oxidanylidene-4-phenyl-quinolin-1-ium-3-ylidene)-5-phenyl-pyrazolidin-1-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3E,5S)-3-(6-chloro-2-oxo-4-phenyl-quinolin-1-ium-3-ylidene)-5-phenyl-pyrazolidin-1-yl]-4-oxo-butanoate CAS Name: 4-[(3E,5S)-3-(6-chloro-2-oxo-4-phenyl-3-quinolin-1-iumylidene)-5-phenyl-1-pyrazolidinyl]-4-oxobutanoate IUPAC Name: 4-[(3E,5S)-3-(6-chloro-2-oxo-4-phenylquinolin-1-ium-3-ylidene)-5-phenylpyrazolidin-1-yl]-4-oxobutanoate Traditional Name: 4-[(3E,5S)-3-(6-chloro-2-keto-4-phenyl-quinolin-1-ium-3-ylidene)-5-phenyl-pyrazolidin-1-yl]-4-keto-butyrate Formula: C28H22ClN3O4 MolecularWeight: 499.94498

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(NC1=C2C(=C3C=C(C=CC3=[NH+]C2=O)Cl)C4=CC=CC=C4)C(=O)CCC(=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C\1[C@H](N(N/C1=C/2\C(=C3C=C(C=CC3=[NH+]C2=O)Cl)C4=CC=CC=C4)C(=O)CCC(=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C28H22ClN3O4/c29-19-11-12-21-20(15-19)26(18-9-5-2-6-10-18)27(28(36)30-21)22-16-23(17-7-3-1-4-8-17)32(31-22)24(33)13-14-25(34)35/h1-12,15,23,31H,13-14,16H2,(H,34,35)/b27-22+/t23-/m0/s1