3-[[2-(methylamino)-2-oxidanylidene-ethyl]carbamoyl]-5-nitro-benzoic acid

Systemtic Name: 3-[[2-(methylamino)-2-oxidanylidene-ethyl]carbamoyl]-5-nitro-benzoic acid Openeye Name: 3-[[2-(methylamino)-2-oxo-ethyl]carbamoyl]-5-nitro-benzoic acid CAS Name: 3-[[[2-(methylamino)-2-oxoethyl]amino]-oxomethyl]-5-nitrobenzoic acid IUPAC Name: 3-[[2-(methylamino)-2-oxoethyl]carbamoyl]-5-nitrobenzoic acid Traditional Name: 3-[[2-keto-2-(methylamino)ethyl]carbamoyl]-5-nitro-benzoic acid Formula: C11H11N3O6 MolecularWeight: 281.22154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11N3O6/c1-12-9(15)5-13-10(16)6-2-7(11(17)18)4-8(3-6)14(19)20/h2-4H,5H2,1H3,(H,12,15)(H,13,16)(H,17,18)