(4E)-4-[(1Z,5E,9E,15E)-22,23-dihydro-21H-porphyrin-2-ylidene]-2-methoxy-cyclohexa-2,5-dien-1-one

Systemtic Name: (4E)-4-[(1Z,5E,9E,15E)-22,23-dihydro-21H-porphyrin-2-ylidene]-2-methoxy-cyclohexa-2,5-dien-1-one Openeye Name: (4E)-4-[(1Z,5E,9E,15E)-22,23-dihydro-21H-porphyrin-2-ylidene]-2-methoxy-cyclohexa-2,5-dien-1-one CAS Name: (4E)-4-[(1Z,5E,9E,15E)-22,23-dihydro-21H-porphyrin-2-ylidene]-2-methoxy-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-4-[(1Z,5E,9E,15E)-22,23-dihydro-21H-porphyrin-2-ylidene]-2-methoxycyclohexa-2,5-dien-1-one Traditional Name: (4E)-4-[(1Z,5E,9E,15E)-22,23-dihydro-21H-porphin-2-ylidene]-2-methoxy-cyclohexa-2,5-dien-1-one Formula: C27H20N4O2 MolecularWeight: 432.4733

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C=C3C=C4C=CC(=CC5=CC=C(N5)C=C6C=CC(=N6)C=C2N3)N4)C=CC1=O

Isomeric SMILES

COC1=C/C(=C/2\C=C3/C=C/4\C=C/C(=C\C5=CC=C(N5)/C=C/6\C=CC(=N6)\C=C2/N3)/N4)/C=CC1=O

InChI

InChI=1S/C27H20N4O2/c1-33-27-10-16(2-9-26(27)32)24-14-23-13-21-6-5-19(29-21)11-17-3-4-18(28-17)12-20-7-8-22(30-20)15-25(24)31-23/h2-15,28-29,31H,1H3/b19-11+,20-12+,21-13+,24-16+,25-15-