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

Systemtic Name: methyl 2-[7-chloranyl-1-(3-methoxy-4-nitro-phenyl)carbonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H21ClN2O6 MolecularWeight: 432.85424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O6/c1-29-19-10-14(5-7-18(19)24(27)28)21(26)23-9-3-4-13(11-20(25)30-2)16-12-15(22)6-8-17(16)23/h5-8,10,12-13H,3-4,9,11H2,1-2H3