ethyl 4-[(4Z)-4-(anthracen-9-ylmethylidene)-3,5-bis(oxidanylidene)pyrazolidin-1-yl]benzoate

Systemtic Name: ethyl 4-[(4Z)-4-(anthracen-9-ylmethylidene)-3,5-bis(oxidanylidene)pyrazolidin-1-yl]benzoate Openeye Name: ethyl 4-[(4Z)-4-(9-anthrylmethylene)-3,5-dioxo-pyrazolidin-1-yl]benzoate CAS Name: 4-[(4Z)-4-(9-anthracenylmethylidene)-3,5-dioxo-1-pyrazolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4Z)-4-(anthracen-9-ylmethylidene)-3,5-dioxopyrazolidin-1-yl]benzoate Traditional Name: 4-[(4Z)-4-(9-anthrylmethylene)-3,5-diketo-pyrazolidin-1-yl]benzoic acid ethyl ester Formula: C27H20N2O4 MolecularWeight: 436.4587

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=CC3=C4C=CC=CC4=CC5=CC=CC=C53)C(=O)N2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)/C(=C\C3=C4C=CC=CC4=CC5=CC=CC=C53)/C(=O)N2

InChI

InChI=1S/C27H20N2O4/c1-2-33-27(32)17-11-13-20(14-12-17)29-26(31)24(25(30)28-29)16-23-21-9-5-3-7-18(21)15-19-8-4-6-10-22(19)23/h3-16H,2H2,1H3,(H,28,30)/b24-16-