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

Systemtic Name: methyl 2-[7-fluoranyl-1-(2-methoxy-4-nitro-phenyl)carbonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]ethanoate Openeye Name: methyl 2-[7-fluoro-1-(2-methoxy-4-nitro-benzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetate CAS Name: 2-[7-fluoro-1-[(2-methoxy-4-nitrophenyl)-oxomethyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetic acid methyl ester IUPAC Name: methyl 2-[7-fluoro-1-(2-methoxy-4-nitrobenzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetate Traditional Name: 2-[7-fluoro-1-(2-methoxy-4-nitro-benzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetic acid methyl ester Formula: C21H21FN2O6 MolecularWeight: 416.399643

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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)F)CC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN2O6/c1-29-19-12-15(24(27)28)6-7-16(19)21(26)23-9-3-4-13(10-20(25)30-2)17-11-14(22)5-8-18(17)23/h5-8,11-13H,3-4,9-10H2,1-2H3