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12,13-dinitro-21,22-dihydroporphyrin

12,13-dinitro-21,22-dihydroporphyrin

Systemtic Name:12,13-dinitro-21,22-dihydroporphyrin
Openeye Name:12,13-dinitro-21,22-dihydroporphyrin
CAS Name:12,13-dinitro-21,22-dihydroporphyrin
IUPAC Name:12,13-dinitro-21,22-dihydroporphyrin
Traditional Name:12,13-dinitro-21,22-dihydroporphine
Formula: C20H12N6O4
MolecularWeight: 400.34708
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC3=CC=C(N3)C=C4C(=C(C(=N4)C=C5C=CC(=N5)C=C1N2)[N+](=O)[O-])[N+](=O)[O-]


Isomeric SMILES

C1=CC2=CC3=CC=C(N3)C=C4C(=C(C(=N4)C=C5C=CC(=N5)C=C1N2)[N+](=O)[O-])[N+](=O)[O-]


InChI

InChI=1S/C20H12N6O4/c27-25(28)19-17-9-15-5-3-13(22-15)7-11-1-2-12(21-11)8-14-4-6-16(23-14)10-18(24-17)20(19)26(29)30/h1-10,21-22H


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