3-[2-(7-nitro-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-4-yl)ethanoylamino]propanoic acid

Systemtic Name: 3-[2-(7-nitro-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-4-yl)ethanoylamino]propanoic acid Openeye Name: 3-[[2-(7-nitro-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)acetyl]amino]propanoic acid CAS Name: 3-[[2-(7-nitro-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-[[2-(7-nitro-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)acetyl]amino]propanoic acid Traditional Name: 3-[[2-(5-keto-7-nitro-2,3-dihydro-1,4-benzoxazepin-4-yl)acetyl]amino]propionic acid Formula: C14H15N3O7 MolecularWeight: 337.2848

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N1CC(=O)NCCC(=O)O

Isomeric SMILES

C1COC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N1CC(=O)NCCC(=O)O

InChI

InChI=1S/C14H15N3O7/c18-12(15-4-3-13(19)20)8-16-5-6-24-11-2-1-9(17(22)23)7-10(11)14(16)21/h1-2,7H,3-6,8H2,(H,15,18)(H,19,20)