2-[2-(4-methoxy-3-nitro-phenyl)-3-nitro-4-oxidanylidene-chromen-8-yl]ethanoic acid

Systemtic Name: 2-[2-(4-methoxy-3-nitro-phenyl)-3-nitro-4-oxidanylidene-chromen-8-yl]ethanoic acid Openeye Name: 2-[2-(4-methoxy-3-nitro-phenyl)-3-nitro-4-oxo-chromen-8-yl]acetic acid CAS Name: 2-[2-(4-methoxy-3-nitrophenyl)-3-nitro-4-oxo-1-benzopyran-8-yl]acetic acid IUPAC Name: 2-[2-(4-methoxy-3-nitrophenyl)-3-nitro-4-oxochromen-8-yl]acetic acid Traditional Name: 2-[4-keto-2-(4-methoxy-3-nitro-phenyl)-3-nitro-chromen-8-yl]acetic acid Formula: C18H12N2O9 MolecularWeight: 400.29588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C(=CC=C3)CC(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C(=CC=C3)CC(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H12N2O9/c1-28-13-6-5-10(7-12(13)19(24)25)18-15(20(26)27)16(23)11-4-2-3-9(8-14(21)22)17(11)29-18/h2-7H,8H2,1H3,(H,21,22)