2-(3-nitrooxyphenanthren-1-yl)ethanoic acid

Systemtic Name: 2-(3-nitrooxyphenanthren-1-yl)ethanoic acid Openeye Name: 2-(3-nitrooxy-1-phenanthryl)acetic acid CAS Name: 2-(3-nitrooxy-1-phenanthrenyl)acetic acid IUPAC Name: 2-(3-nitrooxyphenanthren-1-yl)acetic acid Traditional Name: 2-(3-nitrooxy-1-phenanthryl)acetic acid Formula: C16H11NO5 MolecularWeight: 297.26224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C(C=C(C=C32)O[N+](=O)[O-])CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C(C=C(C=C32)O[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C16H11NO5/c18-16(19)8-11-7-12(22-17(20)21)9-15-13-4-2-1-3-10(13)5-6-14(11)15/h1-7,9H,8H2,(H,18,19)