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

Systemtic Name: 3-[2-(7-nitro-5-oxidanylidene-2-phenyl-2,3-dihydro-1,4-benzoxazepin-4-yl)ethanoylamino]-3-phenyl-propanoic acid Openeye Name: 3-[[2-(7-nitro-5-oxo-2-phenyl-2,3-dihydro-1,4-benzoxazepin-4-yl)acetyl]amino]-3-phenyl-propanoic acid CAS Name: 3-[[2-(7-nitro-5-oxo-2-phenyl-2,3-dihydro-1,4-benzoxazepin-4-yl)-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[[2-(7-nitro-5-oxo-2-phenyl-2,3-dihydro-1,4-benzoxazepin-4-yl)acetyl]amino]-3-phenylpropanoic acid Traditional Name: 3-[[2-(5-keto-7-nitro-2-phenyl-2,3-dihydro-1,4-benzoxazepin-4-yl)acetyl]amino]-3-phenyl-propionic acid Formula: C26H23N3O7 MolecularWeight: 489.47672

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N1CC(=O)NC(CC(=O)O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1C(OC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N1CC(=O)NC(CC(=O)O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H23N3O7/c30-24(27-21(14-25(31)32)17-7-3-1-4-8-17)16-28-15-23(18-9-5-2-6-10-18)36-22-12-11-19(29(34)35)13-20(22)26(28)33/h1-13,21,23H,14-16H2,(H,27,30)(H,31,32)