(E)-(4-chlorophenyl)-[2-(4-nitrophenyl)-4,5-bis(oxidanylidene)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate

Systemtic Name: (E)-(4-chlorophenyl)-[2-(4-nitrophenyl)-4,5-bis(oxidanylidene)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate Openeye Name: (E)-(4-chlorophenyl)-[2-(4-nitrophenyl)-4,5-dioxo-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate CAS Name: (E)-(4-chlorophenyl)-[2-(4-nitrophenyl)-4,5-dioxo-1-(3-pyridin-1-iumylmethyl)-3-pyrrolidinylidene]methanolate IUPAC Name: (E)-(4-chlorophenyl)-[2-(4-nitrophenyl)-4,5-dioxo-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate Traditional Name: (E)-(4-chlorophenyl)-[4,5-diketo-2-(4-nitrophenyl)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate Formula: C23H16ClN3O5 MolecularWeight: 449.84324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[NH+]=C1)CN2C(C(=C(C3=CC=C(C=C3)Cl)[O-])C(=O)C2=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C[NH+]=C1)CN2C(/C(=C(/C3=CC=C(C=C3)Cl)\[O-])/C(=O)C2=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H16ClN3O5/c24-17-7-3-16(4-8-17)21(28)19-20(15-5-9-18(10-6-15)27(31)32)26(23(30)22(19)29)13-14-2-1-11-25-12-14/h1-12,20,28H,13H2/b21-19+