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

Systemtic Name: 3-[2-(7-nitro-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-4-yl)ethanoylamino]-3-phenyl-propanoic acid Openeye Name: 3-[[2-(7-nitro-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)acetyl]amino]-3-phenyl-propanoic acid CAS Name: 3-[[2-(7-nitro-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[[2-(7-nitro-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)acetyl]amino]-3-phenylpropanoic acid Traditional Name: 3-[[2-(5-keto-7-nitro-2,3-dihydro-1,4-benzoxazepin-4-yl)acetyl]amino]-3-phenyl-propionic acid Formula: C20H19N3O7 MolecularWeight: 413.38076

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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=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O7/c24-18(21-16(11-19(25)26)13-4-2-1-3-5-13)12-22-8-9-30-17-7-6-14(23(28)29)10-15(17)20(22)27/h1-7,10,16H,8-9,11-12H2,(H,21,24)(H,25,26)