[1-(4-nitrophenyl)carbonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl] 2-chloranylethanoate

Systemtic Name: [1-(4-nitrophenyl)carbonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl] 2-chloranylethanoate Openeye Name: [1-(4-nitrobenzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl] 2-chloroacetate CAS Name: 2-chloroacetic acid [1-[(4-nitrophenyl)-oxomethyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl] ester IUPAC Name: [1-(4-nitrobenzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl] 2-chloroacetate Traditional Name: 2-chloroacetic acid [1-(4-nitrobenzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl] ester Formula: C19H17ClN2O5 MolecularWeight: 388.80168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=CC=CC=C2N(C1)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC(=O)CCl

Isomeric SMILES

C1CC(C2=CC=CC=C2N(C1)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC(=O)CCl

InChI

InChI=1S/C19H17ClN2O5/c20-12-18(23)27-17-6-3-11-21(16-5-2-1-4-15(16)17)19(24)13-7-9-14(10-8-13)22(25)26/h1-2,4-5,7-10,17H,3,6,11-12H2