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

Systemtic Name: 2-[7-chloranyl-1-(3-methoxy-4-nitro-phenyl)carbonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]ethanenitrile Openeye Name: 2-[7-chloro-1-(3-methoxy-4-nitro-benzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetonitrile CAS Name: 2-[7-chloro-1-[(3-methoxy-4-nitrophenyl)-oxomethyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetonitrile IUPAC Name: 2-[7-chloro-1-(3-methoxy-4-nitrobenzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetonitrile Traditional Name: 2-[7-chloro-1-(3-methoxy-4-nitro-benzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetonitrile Formula: C20H18ClN3O4 MolecularWeight: 399.82762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O4/c1-28-19-11-14(4-6-18(19)24(26)27)20(25)23-10-2-3-13(8-9-22)16-12-15(21)5-7-17(16)23/h4-7,11-13H,2-3,8,10H2,1H3