3-nitro-4-[[2-oxidanylidene-2-(propylamino)ethyl]amino]benzoic acid

Systemtic Name: 3-nitro-4-[[2-oxidanylidene-2-(propylamino)ethyl]amino]benzoic acid Openeye Name: 3-nitro-4-[[2-oxo-2-(propylamino)ethyl]amino]benzoic acid CAS Name: 3-nitro-4-[[2-oxo-2-(propylamino)ethyl]amino]benzoic acid IUPAC Name: 3-nitro-4-[[2-oxo-2-(propylamino)ethyl]amino]benzoic acid Traditional Name: 4-[[2-keto-2-(propylamino)ethyl]amino]-3-nitro-benzoic acid Formula: C12H15N3O5 MolecularWeight: 281.2646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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