5-azanyl-4-[2-[(2-methyl-6-nitro-3-oxidanylidene-4H-1,4-benzoxazin-2-yl)carbonylamino]propanoylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-4-[2-[(2-methyl-6-nitro-3-oxidanylidene-4H-1,4-benzoxazin-2-yl)carbonylamino]propanoylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-4-[2-[(2-methyl-6-nitro-3-oxo-4H-1,4-benzoxazine-2-carbonyl)amino]propanoylamino]-5-oxo-pentanoic acid CAS Name: 5-amino-4-[[2-[[(2-methyl-6-nitro-3-oxo-4H-1,4-benzoxazin-2-yl)-oxomethyl]amino]-1-oxopropyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-4-[2-[(2-methyl-6-nitro-3-oxo-4H-1,4-benzoxazine-2-carbonyl)amino]propanoylamino]-5-oxopentanoic acid Traditional Name: 5-amino-5-keto-4-[2-[(3-keto-2-methyl-6-nitro-4H-1,4-benzoxazine-2-carbonyl)amino]propanoylamino]valeric acid Formula: C18H21N5O9 MolecularWeight: 451.38744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O9/c1-8(15(27)21-10(14(19)26)4-6-13(24)25)20-16(28)18(2)17(29)22-11-7-9(23(30)31)3-5-12(11)32-18/h3,5,7-8,10H,4,6H2,1-2H3,(H2,19,26)(H,20,28)(H,21,27)(H,22,29)(H,24,25)