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

Systemtic Name: 5-[[2-(cyclopropylamino)-2-oxidanylidene-ethyl]amino]-2-nitro-benzoic acid Openeye Name: 5-[[2-(cyclopropylamino)-2-oxo-ethyl]amino]-2-nitro-benzoic acid CAS Name: 5-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-nitrobenzoic acid IUPAC Name: 5-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-nitrobenzoic acid Traditional Name: 5-[[2-(cyclopropylamino)-2-keto-ethyl]amino]-2-nitro-benzoic acid Formula: C12H13N3O5 MolecularWeight: 279.24872

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CNC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CC1NC(=O)CNC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H13N3O5/c16-11(14-7-1-2-7)6-13-8-3-4-10(15(19)20)9(5-8)12(17)18/h3-5,7,13H,1-2,6H2,(H,14,16)(H,17,18)