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

Systemtic Name: [1-(4-nitrophenyl)carbonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl] 2-(dimethylamino)ethanoate Openeye Name: [1-(4-nitrobenzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl] 2-(dimethylamino)acetate CAS Name: 2-(dimethylamino)acetic 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-(dimethylamino)acetate Traditional Name: 2-(dimethylamino)acetic acid [1-(4-nitrobenzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl] ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(=O)OC1CCCN(C2=CC=CC=C12)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)CC(=O)OC1CCCN(C2=CC=CC=C12)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O5/c1-22(2)14-20(25)29-19-8-5-13-23(18-7-4-3-6-17(18)19)21(26)15-9-11-16(12-10-15)24(27)28/h3-4,6-7,9-12,19H,5,8,13-14H2,1-2H3