ethyl 2-diazanylidene-3-oxidanylidene-5-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)pent-4-enoate

Systemtic Name: ethyl 2-diazanylidene-3-oxidanylidene-5-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)pent-4-enoate Openeye Name: ethyl 2-hydrazinylidene-3-oxo-5-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)pent-4-enoate CAS Name: 2-hydrazinylidene-3-oxo-5-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)-4-pentenoic acid ethyl ester IUPAC Name: ethyl 2-hydrazinylidene-3-oxo-5-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)pent-4-enoate Traditional Name: 2-hydrazono-3-keto-5-(10,15,20-triphenyl-23,24-dihydroporphin-5-yl)pent-4-enoic acid ethyl ester Formula: C45H34N6O3 MolecularWeight: 706.78986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=NN)C(=O)C=CC1=C2C=CC(=N2)C(=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC1=N5)C6=CC=CC=C6)C7=CC=CC=C7)N3)C8=CC=CC=C8

Isomeric SMILES

CCOC(=O)C(=NN)C(=O)C=CC1=C2C=CC(=N2)C(=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC1=N5)C6=CC=CC=C6)C7=CC=CC=C7)N3)C8=CC=CC=C8

InChI

InChI=1S/C45H34N6O3/c1-2-54-45(53)44(51-46)40(52)27-18-31-32-19-21-34(47-32)41(28-12-6-3-7-13-28)36-23-25-38(49-36)43(30-16-10-5-11-17-30)39-26-24-37(50-39)42(29-14-8-4-9-15-29)35-22-20-33(31)48-35/h3-27,49-50H,2,46H2,1H3