2-[5-(2-chlorophenyl)-1-methyl-7-nitro-2,3-dihydro-1,4-benzodiazepin-2-yl]ethanenitrile

Systemtic Name: 2-[5-(2-chlorophenyl)-1-methyl-7-nitro-2,3-dihydro-1,4-benzodiazepin-2-yl]ethanenitrile Openeye Name: 2-[5-(2-chlorophenyl)-1-methyl-7-nitro-2,3-dihydro-1,4-benzodiazepin-2-yl]acetonitrile CAS Name: 2-[5-(2-chlorophenyl)-1-methyl-7-nitro-2,3-dihydro-1,4-benzodiazepin-2-yl]acetonitrile IUPAC Name: 2-[5-(2-chlorophenyl)-1-methyl-7-nitro-2,3-dihydro-1,4-benzodiazepin-2-yl]acetonitrile Traditional Name: 2-[5-(2-chlorophenyl)-1-methyl-7-nitro-2,3-dihydro-1,4-benzodiazepin-2-yl]acetonitrile Formula: C18H15ClN4O2 MolecularWeight: 354.7903

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3Cl)CC#N

Isomeric SMILES

CN1C(CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3Cl)CC#N

InChI

InChI=1S/C18H15ClN4O2/c1-22-13(8-9-20)11-21-18(14-4-2-3-5-16(14)19)15-10-12(23(24)25)6-7-17(15)22/h2-7,10,13H,8,11H2,1H3