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

Systemtic Name: 4-[[2-(methylamino)-2-oxidanylidene-ethyl]amino]-3-nitro-benzoic acid Openeye Name: 4-[[2-(methylamino)-2-oxo-ethyl]amino]-3-nitro-benzoic acid CAS Name: 4-[[2-(methylamino)-2-oxoethyl]amino]-3-nitrobenzoic acid IUPAC Name: 4-[[2-(methylamino)-2-oxoethyl]amino]-3-nitrobenzoic acid Traditional Name: 4-[[2-keto-2-(methylamino)ethyl]amino]-3-nitro-benzoic acid Formula: C10H11N3O5 MolecularWeight: 253.21144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11N3O5/c1-11-9(14)5-12-7-3-2-6(10(15)16)4-8(7)13(17)18/h2-4,12H,5H2,1H3,(H,11,14)(H,15,16)