4-(1-acetamidoethyl)-3-nitro-benzoic acid

Systemtic Name: 4-(1-acetamidoethyl)-3-nitro-benzoic acid Openeye Name: 4-(1-acetamidoethyl)-3-nitro-benzoic acid CAS Name: 4-(1-acetamidoethyl)-3-nitrobenzoic acid IUPAC Name: 4-(1-acetamidoethyl)-3-nitrobenzoic acid Traditional Name: 4-(1-acetamidoethyl)-3-nitro-benzoic acid Formula: C11H12N2O5 MolecularWeight: 252.22338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-])NC(=O)C

Isomeric SMILES

CC(C1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-])NC(=O)C

InChI

InChI=1S/C11H12N2O5/c1-6(12-7(2)14)9-4-3-8(11(15)16)5-10(9)13(17)18/h3-6H,1-2H3,(H,12,14)(H,15,16)