3-(7-nitro-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl)propanoic acid

Systemtic Name: 3-(7-nitro-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl)propanoic acid Openeye Name: 3-(7-nitro-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanoic acid CAS Name: 3-(7-nitro-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanoic acid IUPAC Name: 3-(7-nitro-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanoic acid Traditional Name: 3-(2-keto-7-nitro-4,5-dihydro-3H-1-benzazepin-1-yl)propionic acid Formula: C13H14N2O5 MolecularWeight: 278.26066

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)[N+](=O)[O-])N(C(=O)C1)CCC(=O)O

Isomeric SMILES

C1CC2=C(C=CC(=C2)[N+](=O)[O-])N(C(=O)C1)CCC(=O)O

InChI

InChI=1S/C13H14N2O5/c16-12-3-1-2-9-8-10(15(19)20)4-5-11(9)14(12)7-6-13(17)18/h4-5,8H,1-3,6-7H2,(H,17,18)