ethyl 2-[5-(2-methylpropyl)-2-oxidanylidene-4H-1,3,4-benzotriazepin-3-yl]ethanoate

Systemtic Name: ethyl 2-[5-(2-methylpropyl)-2-oxidanylidene-4H-1,3,4-benzotriazepin-3-yl]ethanoate Openeye Name: ethyl 2-(5-isobutyl-2-oxo-4H-1,3,4-benzotriazepin-3-yl)acetate CAS Name: 2-[5-(2-methylpropyl)-2-oxo-4H-1,3,4-benzotriazepin-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-(2-methylpropyl)-2-oxo-4H-1,3,4-benzotriazepin-3-yl]acetate Traditional Name: 2-(5-isobutyl-2-keto-4H-1,3,4-benzotriazepin-3-yl)acetic acid ethyl ester Formula: C16H21N3O3 MolecularWeight: 303.35624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)N=C2C=CC=CC2=C(N1)CC(C)C

Isomeric SMILES

CCOC(=O)CN1C(=O)N=C2C=CC=CC2=C(N1)CC(C)C

InChI

InChI=1S/C16H21N3O3/c1-4-22-15(20)10-19-16(21)17-13-8-6-5-7-12(13)14(18-19)9-11(2)3/h5-8,11,18H,4,9-10H2,1-3H3