4-(2-azanylpropoxy)-3-nitro-benzoic acid

Systemtic Name: 4-(2-azanylpropoxy)-3-nitro-benzoic acid Openeye Name: 4-(2-aminopropoxy)-3-nitro-benzoic acid CAS Name: 4-(2-aminopropoxy)-3-nitrobenzoic acid IUPAC Name: 4-(2-aminopropoxy)-3-nitrobenzoic acid Traditional Name: 4-(2-aminopropoxy)-3-nitro-benzoic acid Formula: C10H12N2O5 MolecularWeight: 240.21268

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-])N

Isomeric SMILES

CC(COC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-])N

InChI

InChI=1S/C10H12N2O5/c1-6(11)5-17-9-3-2-7(10(13)14)4-8(9)12(15)16/h2-4,6H,5,11H2,1H3,(H,13,14)