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

Systemtic Name: [1-(4-nitrophenyl)carbonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl] N,N-dimethylcarbamate Openeye Name: [1-(4-nitrobenzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl] N,N-dimethylcarbamate CAS Name: N,N-dimethylcarbamic 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] N,N-dimethylcarbamate Traditional Name: N,N-dimethylcarbamic acid [1-(4-nitrobenzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl] ester Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5/c1-21(2)20(25)28-18-8-5-13-22(17-7-4-3-6-16(17)18)19(24)14-9-11-15(12-10-14)23(26)27/h3-4,6-7,9-12,18H,5,8,13H2,1-2H3