4-(3-methoxy-3-oxidanylidene-propyl)-3-nitro-benzoic acid

Systemtic Name: 4-(3-methoxy-3-oxidanylidene-propyl)-3-nitro-benzoic acid Openeye Name: 4-(3-methoxy-3-oxo-propyl)-3-nitro-benzoic acid CAS Name: 4-(3-methoxy-3-oxopropyl)-3-nitrobenzoic acid IUPAC Name: 4-(3-methoxy-3-oxopropyl)-3-nitrobenzoic acid Traditional Name: 4-(3-keto-3-methoxy-propyl)-3-nitro-benzoic acid Formula: C11H11NO6 MolecularWeight: 253.20814

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C11H11NO6/c1-18-10(13)5-4-7-2-3-8(11(14)15)6-9(7)12(16)17/h2-3,6H,4-5H2,1H3,(H,14,15)