1-(2-chloroethyl)-2-(chloromethyl)-7-nitro-5-thiophen-2-yl-2,3-dihydro-1,4-benzodiazepine

Systemtic Name: 1-(2-chloroethyl)-2-(chloromethyl)-7-nitro-5-thiophen-2-yl-2,3-dihydro-1,4-benzodiazepine Openeye Name: 1-(2-chloroethyl)-2-(chloromethyl)-7-nitro-5-(2-thienyl)-2,3-dihydro-1,4-benzodiazepine CAS Name: 1-(2-chloroethyl)-2-(chloromethyl)-7-nitro-5-thiophen-2-yl-2,3-dihydro-1,4-benzodiazepine IUPAC Name: 1-(2-chloroethyl)-2-(chloromethyl)-7-nitro-5-thiophen-2-yl-2,3-dihydro-1,4-benzodiazepine Traditional Name: 1-(2-chloroethyl)-2-(chloromethyl)-7-nitro-5-(2-thienyl)-2,3-dihydro-1,4-benzodiazepine Formula: C16H15Cl2N3O2S MolecularWeight: 384.2802

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CS3)CCCl)CCl

Isomeric SMILES

C1C(N(C2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CS3)CCCl)CCl

InChI

InChI=1S/C16H15Cl2N3O2S/c17-5-6-20-12(9-18)10-19-16(15-2-1-7-24-15)13-8-11(21(22)23)3-4-14(13)20/h1-4,7-8,12H,5-6,9-10H2