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

Systemtic Name: ethyl 2-[7-chloranyl-1-(3-methoxy-4-nitro-phenyl)carbonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]ethanoate Openeye Name: ethyl 2-[7-chloro-1-(3-methoxy-4-nitro-benzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetate CAS Name: 2-[7-chloro-1-[(3-methoxy-4-nitrophenyl)-oxomethyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-chloro-1-(3-methoxy-4-nitrobenzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetate Traditional Name: 2-[7-chloro-1-(3-methoxy-4-nitro-benzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetic acid ethyl ester Formula: C22H23ClN2O6 MolecularWeight: 446.88082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1CCCN(C2=C1C=C(C=C2)Cl)C(=O)C3=CC(=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCOC(=O)CC1CCCN(C2=C1C=C(C=C2)Cl)C(=O)C3=CC(=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C22H23ClN2O6/c1-3-31-21(26)12-14-5-4-10-24(18-9-7-16(23)13-17(14)18)22(27)15-6-8-19(25(28)29)20(11-15)30-2/h6-9,11,13-14H,3-5,10,12H2,1-2H3