3-(6-methyl-4-oxidanylidene-chromen-2-yl)-5-nitro-benzoic acid

Systemtic Name: 3-(6-methyl-4-oxidanylidene-chromen-2-yl)-5-nitro-benzoic acid Openeye Name: 3-(6-methyl-4-oxo-chromen-2-yl)-5-nitro-benzoic acid CAS Name: 3-(6-methyl-4-oxo-1-benzopyran-2-yl)-5-nitrobenzoic acid IUPAC Name: 3-(6-methyl-4-oxochromen-2-yl)-5-nitrobenzoic acid Traditional Name: 3-(4-keto-6-methyl-chromen-2-yl)-5-nitro-benzoic acid Formula: C17H11NO6 MolecularWeight: 325.27234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=CC2=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=CC2=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H11NO6/c1-9-2-3-15-13(4-9)14(19)8-16(24-15)10-5-11(17(20)21)7-12(6-10)18(22)23/h2-8H,1H3,(H,20,21)