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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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