ethyl 1-[2-(7-bromanyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-(7-bromanyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)acetyl]piperidine-3-carboxylate CAS Name: 1-[2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)acetyl]piperidine-3-carboxylate Traditional Name: 1-[2-(7-bromo-3-keto-1,4-benzoxazin-4-yl)acetyl]nipecotic acid ethyl ester Formula: C18H21BrN2O5 MolecularWeight: 425.27374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CN2C(=O)COC3=C2C=CC(=C3)Br

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CN2C(=O)COC3=C2C=CC(=C3)Br

InChI

InChI=1S/C18H21BrN2O5/c1-2-25-18(24)12-4-3-7-20(9-12)16(22)10-21-14-6-5-13(19)8-15(14)26-11-17(21)23/h5-6,8,12H,2-4,7,9-11H2,1H3