[7-chloranyl-5-(2-hydroxyethyloxy)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(2-methoxy-4-nitro-phenyl)methanone

Systemtic Name: [7-chloranyl-5-(2-hydroxyethyloxy)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(2-methoxy-4-nitro-phenyl)methanone Openeye Name: [7-chloro-5-(2-hydroxyethoxy)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(2-methoxy-4-nitro-phenyl)methanone CAS Name: [7-chloro-5-(2-hydroxyethoxy)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(2-methoxy-4-nitrophenyl)methanone IUPAC Name: [7-chloro-5-(2-hydroxyethoxy)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(2-methoxy-4-nitrophenyl)methanone Traditional Name: [7-chloro-5-(2-hydroxyethoxy)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(2-methoxy-4-nitro-phenyl)methanone Formula: C20H21ClN2O6 MolecularWeight: 420.84354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)N2CCCC(C3=C2C=CC(=C3)Cl)OCCO

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)N2CCCC(C3=C2C=CC(=C3)Cl)OCCO

InChI

InChI=1S/C20H21ClN2O6/c1-28-19-12-14(23(26)27)5-6-15(19)20(25)22-8-2-3-18(29-10-9-24)16-11-13(21)4-7-17(16)22/h4-7,11-12,18,24H,2-3,8-10H2,1H3