6-nitro-3-oxidanylidene-7-[3-[(phenylcarbamoylamino)methyl]pyrrolidin-1-yl]-4H-quinoxaline-2-carboxylic acid

Systemtic Name: 6-nitro-3-oxidanylidene-7-[3-[(phenylcarbamoylamino)methyl]pyrrolidin-1-yl]-4H-quinoxaline-2-carboxylic acid Openeye Name: 6-nitro-3-oxo-7-[3-[(phenylcarbamoylamino)methyl]pyrrolidin-1-yl]-4H-quinoxaline-2-carboxylic acid CAS Name: 7-[3-[[[anilino(oxo)methyl]amino]methyl]-1-pyrrolidinyl]-6-nitro-3-oxo-4H-quinoxaline-2-carboxylic acid IUPAC Name: 6-nitro-3-oxo-7-[3-[(phenylcarbamoylamino)methyl]pyrrolidin-1-yl]-4H-quinoxaline-2-carboxylic acid Traditional Name: 3-keto-6-nitro-7-[3-[(phenylcarbamoylamino)methyl]pyrrolidino]-4H-quinoxaline-2-carboxylic acid Formula: C21H20N6O6 MolecularWeight: 452.4201

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1CNC(=O)NC2=CC=CC=C2)C3=C(C=C4C(=C3)N=C(C(=O)N4)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC1CNC(=O)NC2=CC=CC=C2)C3=C(C=C4C(=C3)N=C(C(=O)N4)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C21H20N6O6/c28-19-18(20(29)30)24-14-8-16(17(27(32)33)9-15(14)25-19)26-7-6-12(11-26)10-22-21(31)23-13-4-2-1-3-5-13/h1-5,8-9,12H,6-7,10-11H2,(H,25,28)(H,29,30)(H2,22,23,31)