ethanoic acid; 2-(1-methyl-3-nitro-6-oxidanylidene-phenanthridin-5-yl)ethanoic acid

Systemtic Name: ethanoic acid; 2-(1-methyl-3-nitro-6-oxidanylidene-phenanthridin-5-yl)ethanoic acid Openeye Name: acetic acid; 2-(1-methyl-3-nitro-6-oxo-phenanthridin-5-yl)acetic acid CAS Name: acetic acid; 2-(1-methyl-3-nitro-6-oxo-5-phenanthridinyl)acetic acid IUPAC Name: acetic acid; 2-(1-methyl-3-nitro-6-oxophenanthridin-5-yl)acetic acid Traditional Name: acetic acid; 2-(6-keto-1-methyl-3-nitro-phenanthridin-5-yl)acetic acid Formula: C18H16N2O7 MolecularWeight: 372.32884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1C3=CC=CC=C3C(=O)N2CC(=O)O)[N+](=O)[O-].CC(=O)O

Isomeric SMILES

CC1=CC(=CC2=C1C3=CC=CC=C3C(=O)N2CC(=O)O)[N+](=O)[O-].CC(=O)O

InChI

InChI=1S/C16H12N2O5.C2H4O2/c1-9-6-10(18(22)23)7-13-15(9)11-4-2-3-5-12(11)16(21)17(13)8-14(19)20;1-2(3)4/h2-7H,8H2,1H3,(H,19,20);1H3,(H,3,4)