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

Systemtic Name: (4S)-4-methyl-5-[2-(4-nitro-2-prop-2-enyl-phenoxy)ethanoyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Openeye Name: (4S)-5-[2-(2-allyl-4-nitro-phenoxy)acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one CAS Name: (4S)-4-methyl-5-[2-(4-nitro-2-prop-2-enylphenoxy)-1-oxoethyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one IUPAC Name: (4S)-4-methyl-5-[2-(4-nitro-2-prop-2-enylphenoxy)acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Traditional Name: (4S)-5-[2-(2-allyl-4-nitro-phenoxy)acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5/c1-3-6-15-12-16(24(27)28)9-10-19(15)29-13-21(26)23-14(2)11-20(25)22-17-7-4-5-8-18(17)23/h3-5,7-10,12,14H,1,6,11,13H2,2H3,(H,22,25)/t14-/m0/s1