3-ethoxy-5-nitro-4-(phenylcarbonyl)benzoic acid

Systemtic Name: 3-ethoxy-5-nitro-4-(phenylcarbonyl)benzoic acid Openeye Name: 4-benzoyl-3-ethoxy-5-nitro-benzoic acid CAS Name: 4-benzoyl-3-ethoxy-5-nitrobenzoic acid IUPAC Name: 4-benzoyl-3-ethoxy-5-nitrobenzoic acid Traditional Name: 4-benzoyl-3-ethoxy-5-nitro-benzoic acid Formula: C16H13NO6 MolecularWeight: 315.27752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1C(=O)C2=CC=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCOC1=CC(=CC(=C1C(=O)C2=CC=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H13NO6/c1-2-23-13-9-11(16(19)20)8-12(17(21)22)14(13)15(18)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,19,20)