(4S)-4-methyl-5-[2-(4-methyl-2-nitro-phenoxy)ethanoyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one

Systemtic Name: (4S)-4-methyl-5-[2-(4-methyl-2-nitro-phenoxy)ethanoyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Openeye Name: (4S)-4-methyl-5-[2-(4-methyl-2-nitro-phenoxy)acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one CAS Name: (4S)-4-methyl-5-[2-(4-methyl-2-nitrophenoxy)-1-oxoethyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one IUPAC Name: (4S)-4-methyl-5-[2-(4-methyl-2-nitrophenoxy)acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Traditional Name: (4S)-4-methyl-5-[2-(4-methyl-2-nitro-phenoxy)acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Formula: C19H19N3O5 MolecularWeight: 369.37126

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)COC3=C(C=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CC(=O)NC2=CC=CC=C2N1C(=O)COC3=C(C=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O5/c1-12-7-8-17(16(9-12)22(25)26)27-11-19(24)21-13(2)10-18(23)20-14-5-3-4-6-15(14)21/h3-9,13H,10-11H2,1-2H3,(H,20,23)/t13-/m0/s1