(4-propanoylphenyl) 6-nitro-2-oxidanylidene-chromene-3-carboxylate

Systemtic Name: (4-propanoylphenyl) 6-nitro-2-oxidanylidene-chromene-3-carboxylate Openeye Name: (4-propanoylphenyl) 6-nitro-2-oxo-chromene-3-carboxylate CAS Name: 6-nitro-2-oxo-1-benzopyran-3-carboxylic acid [4-(1-oxopropyl)phenyl] ester IUPAC Name: (4-propanoylphenyl) 6-nitro-2-oxochromene-3-carboxylate Traditional Name: 2-keto-6-nitro-chromene-3-carboxylic acid (4-propionylphenyl) ester Formula: C19H13NO7 MolecularWeight: 367.30902

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OC(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OC(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C19H13NO7/c1-2-16(21)11-3-6-14(7-4-11)26-18(22)15-10-12-9-13(20(24)25)5-8-17(12)27-19(15)23/h3-10H,2H2,1H3