methyl 2-[7-chloranyl-1-(6-nitropyridin-3-yl)carbonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]ethanoate

Systemtic Name: methyl 2-[7-chloranyl-1-(6-nitropyridin-3-yl)carbonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]ethanoate Openeye Name: methyl 2-[7-chloro-1-(6-nitropyridine-3-carbonyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetate CAS Name: 2-[7-chloro-1-[(6-nitro-3-pyridinyl)-oxomethyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetic acid methyl ester IUPAC Name: methyl 2-[7-chloro-1-(6-nitropyridine-3-carbonyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetate Traditional Name: 2-[7-chloro-1-(6-nitronicotinoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetic acid methyl ester Formula: C19H18ClN3O5 MolecularWeight: 403.81632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O5/c1-28-18(24)9-12-3-2-8-22(16-6-5-14(20)10-15(12)16)19(25)13-4-7-17(21-11-13)23(26)27/h4-7,10-12H,2-3,8-9H2,1H3