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3-(3,8-dinitrophenanthridin-6-yl)benzoic acid

3-(3,8-dinitrophenanthridin-6-yl)benzoic acid

Systemtic Name:3-(3,8-dinitrophenanthridin-6-yl)benzoic acid
Openeye Name:3-(3,8-dinitrophenanthridin-6-yl)benzoic acid
CAS Name:3-(3,8-dinitro-6-phenanthridinyl)benzoic acid
IUPAC Name:3-(3,8-dinitrophenanthridin-6-yl)benzoic acid
Traditional Name:3-(3,8-dinitrophenanthridin-6-yl)benzoic acid
Formula: C20H11N3O6
MolecularWeight: 389.31784
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C2=C3C=C(C=CC3=C4C=CC(=CC4=N2)[N+](=O)[O-])[N+](=O)[O-]


Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C2=C3C=C(C=CC3=C4C=CC(=CC4=N2)[N+](=O)[O-])[N+](=O)[O-]


InChI

InChI=1S/C20H11N3O6/c24-20(25)12-3-1-2-11(8-12)19-17-9-13(22(26)27)4-6-15(17)16-7-5-14(23(28)29)10-18(16)21-19/h1-10H,(H,24,25)


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