7-chloranyl-2-methyl-4-(2-methylprop-2-enyl)-9-nitro-2,3-dihydro-1H-1,4-benzodiazepin-5-one

Systemtic Name: 7-chloranyl-2-methyl-4-(2-methylprop-2-enyl)-9-nitro-2,3-dihydro-1H-1,4-benzodiazepin-5-one Openeye Name: 7-chloro-2-methyl-4-(2-methylallyl)-9-nitro-2,3-dihydro-1H-1,4-benzodiazepin-5-one CAS Name: 7-chloro-2-methyl-4-(2-methylprop-2-enyl)-9-nitro-2,3-dihydro-1H-1,4-benzodiazepin-5-one IUPAC Name: 7-chloro-2-methyl-4-(2-methylprop-2-enyl)-9-nitro-2,3-dihydro-1H-1,4-benzodiazepin-5-one Traditional Name: 7-chloro-2-methyl-4-(2-methylallyl)-9-nitro-2,3-dihydro-1H-1,4-benzodiazepin-5-one Formula: C14H16ClN3O3 MolecularWeight: 309.74814

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(=O)C2=CC(=CC(=C2N1)[N+](=O)[O-])Cl)CC(=C)C

Isomeric SMILES

CC1CN(C(=O)C2=CC(=CC(=C2N1)[N+](=O)[O-])Cl)CC(=C)C

InChI

InChI=1S/C14H16ClN3O3/c1-8(2)6-17-7-9(3)16-13-11(14(17)19)4-10(15)5-12(13)18(20)21/h4-5,9,16H,1,6-7H2,2-3H3