2-methylpropyl 2-[3-azido-2,4-bis(oxidanylidene)-5-phenyl-1,5-benzodiazepin-1-yl]ethanoate

Systemtic Name: 2-methylpropyl 2-[3-azido-2,4-bis(oxidanylidene)-5-phenyl-1,5-benzodiazepin-1-yl]ethanoate Openeye Name: isobutyl 2-(3-azido-2,4-dioxo-5-phenyl-1,5-benzodiazepin-1-yl)acetate CAS Name: 2-(3-azido-2,4-dioxo-5-phenyl-1,5-benzodiazepin-1-yl)acetic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-(3-azido-2,4-dioxo-5-phenyl-1,5-benzodiazepin-1-yl)acetate Traditional Name: 2-(3-azido-2,4-diketo-5-phenyl-1,5-benzodiazepin-1-yl)acetic acid isobutyl ester Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)CN1C2=CC=CC=C2N(C(=O)C(C1=O)N=[N+]=[N-])C3=CC=CC=C3

Isomeric SMILES

CC(C)COC(=O)CN1C2=CC=CC=C2N(C(=O)C(C1=O)N=[N+]=[N-])C3=CC=CC=C3

InChI

InChI=1S/C21H21N5O4/c1-14(2)13-30-18(27)12-25-16-10-6-7-11-17(16)26(15-8-4-3-5-9-15)21(29)19(20(25)28)23-24-22/h3-11,14,19H,12-13H2,1-2H3