ethyl 2-[(E)-[1-(4-nitrophenyl)carbonyl-3,4-dihydro-2H-1-benzazepin-5-ylidene]amino]oxyethanoate

Systemtic Name: ethyl 2-[(E)-[1-(4-nitrophenyl)carbonyl-3,4-dihydro-2H-1-benzazepin-5-ylidene]amino]oxyethanoate Openeye Name: ethyl 2-[(E)-[1-(4-nitrobenzoyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]amino]oxyacetate CAS Name: 2-[(E)-[1-[(4-nitrophenyl)-oxomethyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]amino]oxyacetic acid ethyl ester IUPAC Name: ethyl 2-[(E)-[1-(4-nitrobenzoyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]amino]oxyacetate Traditional Name: 2-[(E)-[1-(4-nitrobenzoyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]amino]oxyacetic acid ethyl ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CON=C1CCCN(C2=CC=CC=C12)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CO/N=C/1\CCCN(C2=CC=CC=C12)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O6/c1-2-29-20(25)14-30-22-18-7-5-13-23(19-8-4-3-6-17(18)19)21(26)15-9-11-16(12-10-15)24(27)28/h3-4,6,8-12H,2,5,7,13-14H2,1H3/b22-18+