3-nitro-4-(propylamino)benzoic acid

Systemtic Name: 3-nitro-4-(propylamino)benzoic acid Openeye Name: 3-nitro-4-(propylamino)benzoic acid CAS Name: 3-nitro-4-(propylamino)benzoic acid IUPAC Name: 3-nitro-4-(propylamino)benzoic acid Traditional Name: 3-nitro-4-(propylamino)benzoic acid Formula: C10H12N2O4 MolecularWeight: 224.21328

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCNC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C10H12N2O4/c1-2-5-11-8-4-3-7(10(13)14)6-9(8)12(15)16/h3-4,6,11H,2,5H2,1H3,(H,13,14)