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

Systemtic Name: methyl 2-[7-chloranyl-1-(4-nitrophenyl)carbonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]ethanoate Openeye Name: methyl 2-[7-chloro-1-(4-nitrobenzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetate CAS Name: 2-[7-chloro-1-[(4-nitrophenyl)-oxomethyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetic acid methyl ester IUPAC Name: methyl 2-[7-chloro-1-(4-nitrobenzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetate Traditional Name: 2-[7-chloro-1-(4-nitrobenzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetic acid methyl ester Formula: C20H19ClN2O5 MolecularWeight: 402.82826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O5/c1-28-19(24)11-14-3-2-10-22(18-9-6-15(21)12-17(14)18)20(25)13-4-7-16(8-5-13)23(26)27/h4-9,12,14H,2-3,10-11H2,1H3