(3-azanyl-6-azanylidene-xanthen-9-yl) 4-[3,5-bis(oxidanylidene)-1,2-diphenyl-pyrazolidin-4-yl]butanoate

Systemtic Name: (3-azanyl-6-azanylidene-xanthen-9-yl) 4-[3,5-bis(oxidanylidene)-1,2-diphenyl-pyrazolidin-4-yl]butanoate Openeye Name: (3-amino-6-imino-xanthen-9-yl) 4-(3,5-dioxo-1,2-diphenyl-pyrazolidin-4-yl)butanoate CAS Name: 4-(3,5-dioxo-1,2-diphenyl-4-pyrazolidinyl)butanoic acid (3-amino-6-imino-9-xanthenyl) ester IUPAC Name: (3-amino-6-iminoxanthen-9-yl) 4-(3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)butanoate Traditional Name: 4-(3,5-diketo-1,2-diphenyl-pyrazolidin-4-yl)butyric acid (3-amino-6-imino-xanthen-9-yl) ester Formula: C32H26N4O5 MolecularWeight: 546.57264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)CCCC(=O)OC4=C5C=CC(=N)C=C5OC6=C4C=CC(=C6)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)CCCC(=O)OC4=C5C=CC(=N)C=C5OC6=C4C=CC(=C6)N

InChI

InChI=1S/C32H26N4O5/c33-20-14-16-24-27(18-20)40-28-19-21(34)15-17-25(28)30(24)41-29(37)13-7-12-26-31(38)35(22-8-3-1-4-9-22)36(32(26)39)23-10-5-2-6-11-23/h1-6,8-11,14-19,26,33H,7,12-13,34H2