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

Systemtic Name: ethyl 2-[[1-(4-nitrophenyl)carbonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]oxy]ethanoate Openeye Name: ethyl 2-[[1-(4-nitrobenzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]oxy]acetate CAS Name: 2-[[1-[(4-nitrophenyl)-oxomethyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[[1-(4-nitrobenzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]oxy]acetate Traditional Name: 2-[[1-(4-nitrobenzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]oxy]acetic acid ethyl ester Formula: C21H22N2O6 MolecularWeight: 398.40918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1CCCN(C2=CC=CC=C12)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)COC1CCCN(C2=CC=CC=C12)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O6/c1-2-28-20(24)14-29-19-8-5-13-22(18-7-4-3-6-17(18)19)21(25)15-9-11-16(12-10-15)23(26)27/h3-4,6-7,9-12,19H,2,5,8,13-14H2,1H3