ethyl 2-(15-bromanyl-10,20-diphenyl-porphyrin-21,22-diid-5-yl)-2-cyano-ethanoate; nickel(2+)

Systemtic Name: ethyl 2-(15-bromanyl-10,20-diphenyl-porphyrin-21,22-diid-5-yl)-2-cyano-ethanoate; nickel(2+) Openeye Name: nickelous ethyl 2-(15-bromo-10,20-diphenyl-porphyrin-21,22-diid-5-yl)-2-cyano-acetate CAS Name: 2-(15-bromo-10,20-diphenyl-5-porphyrin-21,22-diidyl)-2-cyanoacetic acid ethyl ester; nickel(2+) IUPAC Name: ethyl 2-(15-bromo-10,20-diphenylporphyrin-21,22-diid-5-yl)-2-cyanoacetate; nickel(2+) Traditional Name: nickelous 2-(15-bromo-10,20-diphenyl-porphine-21,22-diid-5-yl)-2-cyano-acetic acid ethyl ester Formula: C37H24BrN5NiO2 MolecularWeight: 709.21616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1=C2C=CC(=C(C3=NC(=C(C4=NC(=C(C5=CC=C1[N-]5)C6=CC=CC=C6)C=C4)Br)C=C3)C7=CC=CC=C7)[N-]2.[Ni+2]

Isomeric SMILES

CCOC(=O)C(C#N)C1=C2C=CC(=C(C3=NC(=C(C4=NC(=C(C5=CC=C1[N-]5)C6=CC=CC=C6)C=C4)Br)C=C3)C7=CC=CC=C7)[N-]2.[Ni+2]

InChI

InChI=1S/C37H24BrN5O2.Ni/c1-2-45-37(44)24(21-39)35-29-15-13-25(40-29)33(22-9-5-3-6-10-22)27-17-19-31(42-27)36(38)32-20-18-28(43-32)34(23-11-7-4-8-12-23)26-14-16-30(35)41-26;/h3-20,24H,2H2,1H3;/q-2;+2