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

Systemtic Name: 3-[2-(7-nitro-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-4-yl)ethanoylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[2-(7-nitro-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)acetyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[2-(7-nitro-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)-1-oxoethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[2-(7-nitro-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)acetyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[2-(5-keto-7-nitro-2,3-dihydro-1,4-benzoxazepin-4-yl)acetyl]amino]-3-(3-pyridyl)propionic acid Formula: C19H18N4O7 MolecularWeight: 414.36882

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N1CC(=O)NC(CC(=O)O)C3=CN=CC=C3

Isomeric SMILES

C1COC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N1CC(=O)NC(CC(=O)O)C3=CN=CC=C3

InChI

InChI=1S/C19H18N4O7/c24-17(21-15(9-18(25)26)12-2-1-5-20-10-12)11-22-6-7-30-16-4-3-13(23(28)29)8-14(16)19(22)27/h1-5,8,10,15H,6-7,9,11H2,(H,21,24)(H,25,26)