(5E,9E,15Z,19E)-3-oxidanylidene-23,24-dihydro-22H-porphyrin-2-carboxylic acid

Systemtic Name: (5E,9E,15Z,19E)-3-oxidanylidene-23,24-dihydro-22H-porphyrin-2-carboxylic acid Openeye Name: (5E,9E,15Z,19E)-3-oxo-23,24-dihydro-22H-porphyrin-2-carboxylic acid CAS Name: (5E,9E,15Z,19E)-3-oxo-23,24-dihydro-22H-porphyrin-2-carboxylic acid IUPAC Name: (5E,9E,15Z,19E)-3-oxo-23,24-dihydro-22H-porphyrin-2-carboxylic acid Traditional Name: (5E,9E,15Z,19E)-3-keto-23,24-dihydro-22H-porphine-2-carboxylic acid Formula: C21H14N4O3 MolecularWeight: 370.36086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC3=C(C(=O)C(=N3)C=C4C=CC(=CC5=CC=C(N5)C=C1N2)N4)C(=O)O

Isomeric SMILES

C\1=C/C/2=C\C3=C(C(=O)C(=N3)/C=C/4\C=C/C(=C\C5=CC=C(N5)/C=C1\N2)/N4)C(=O)O

InChI

InChI=1S/C21H14N4O3/c26-20-18-10-16-6-4-14(24-16)8-12-2-1-11(22-12)7-13-3-5-15(23-13)9-17(25-18)19(20)21(27)28/h1-10,22-24H,(H,27,28)/b13-7-,14-8+,15-9+,16-10+