2-nitro-5-[[2-oxidanylidene-2-(propylamino)ethyl]amino]benzoic acid

Systemtic Name: 2-nitro-5-[[2-oxidanylidene-2-(propylamino)ethyl]amino]benzoic acid Openeye Name: 2-nitro-5-[[2-oxo-2-(propylamino)ethyl]amino]benzoic acid CAS Name: 2-nitro-5-[[2-oxo-2-(propylamino)ethyl]amino]benzoic acid IUPAC Name: 2-nitro-5-[[2-oxo-2-(propylamino)ethyl]amino]benzoic acid Traditional Name: 5-[[2-keto-2-(propylamino)ethyl]amino]-2-nitro-benzoic acid Formula: C12H15N3O5 MolecularWeight: 281.2646

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CNC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCNC(=O)CNC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H15N3O5/c1-2-5-13-11(16)7-14-8-3-4-10(15(19)20)9(6-8)12(17)18/h3-4,6,14H,2,5,7H2,1H3,(H,13,16)(H,17,18)