2-[2-[(2-methyl-7-nitro-3-oxidanylidene-4H-1,4-benzoxazin-2-yl)carbonylamino]propanoylamino]pentanedioic acid

Systemtic Name: 2-[2-[(2-methyl-7-nitro-3-oxidanylidene-4H-1,4-benzoxazin-2-yl)carbonylamino]propanoylamino]pentanedioic acid Openeye Name: 2-[2-[(2-methyl-7-nitro-3-oxo-4H-1,4-benzoxazine-2-carbonyl)amino]propanoylamino]pentanedioic acid CAS Name: 2-[[2-[[(2-methyl-7-nitro-3-oxo-4H-1,4-benzoxazin-2-yl)-oxomethyl]amino]-1-oxopropyl]amino]pentanedioic acid IUPAC Name: 2-[2-[(2-methyl-7-nitro-3-oxo-4H-1,4-benzoxazine-2-carbonyl)amino]propanoylamino]pentanedioic acid Traditional Name: 2-[2-[(3-keto-2-methyl-7-nitro-4H-1,4-benzoxazine-2-carbonyl)amino]propanoylamino]glutaric acid Formula: C18H20N4O10 MolecularWeight: 452.3722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C1(C(=O)NC2=C(O1)C=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC(C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C1(C(=O)NC2=C(O1)C=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C18H20N4O10/c1-8(14(25)20-11(15(26)27)5-6-13(23)24)19-16(28)18(2)17(29)21-10-4-3-9(22(30)31)7-12(10)32-18/h3-4,7-8,11H,5-6H2,1-2H3,(H,19,28)(H,20,25)(H,21,29)(H,23,24)(H,26,27)