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

Systemtic Name: [7-chloranyl-1-(4-nitrophenyl)carbonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl] 2-methoxyethanoate Openeye Name: [7-chloro-1-(4-nitrobenzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl] 2-methoxyacetate CAS Name: 2-methoxyacetic acid [7-chloro-1-[(4-nitrophenyl)-oxomethyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl] ester IUPAC Name: [7-chloro-1-(4-nitrobenzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl] 2-methoxyacetate Traditional Name: 2-methoxyacetic acid [7-chloro-1-(4-nitrobenzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl] ester Formula: C20H19ClN2O6 MolecularWeight: 418.82766

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)OC1CCCN(C2=C1C=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COCC(=O)OC1CCCN(C2=C1C=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19ClN2O6/c1-28-12-19(24)29-18-3-2-10-22(17-9-6-14(21)11-16(17)18)20(25)13-4-7-15(8-5-13)23(26)27/h4-9,11,18H,2-3,10,12H2,1H3