2-azanyl-5-nitro-4-(3-oxidanylpropoxy)benzoic acid

Systemtic Name: 2-azanyl-5-nitro-4-(3-oxidanylpropoxy)benzoic acid Openeye Name: 2-amino-4-(3-hydroxypropoxy)-5-nitro-benzoic acid CAS Name: 2-amino-4-(3-hydroxypropoxy)-5-nitrobenzoic acid IUPAC Name: 2-amino-4-(3-hydroxypropoxy)-5-nitrobenzoic acid Traditional Name: 2-amino-4-(3-hydroxypropoxy)-5-nitro-benzoic acid Formula: C10H12N2O6 MolecularWeight: 256.21208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N2O6/c11-7-5-9(18-3-1-2-13)8(12(16)17)4-6(7)10(14)15/h4-5,13H,1-3,11H2,(H,14,15)