1-(cyclopropylmethyl)-8-nitro-3-(thiophen-2-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione

Systemtic Name: 1-(cyclopropylmethyl)-8-nitro-3-(thiophen-2-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione Openeye Name: 1-(cyclopropylmethyl)-8-nitro-3-(2-thienylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione CAS Name: 1-(cyclopropylmethyl)-8-nitro-3-(thiophen-2-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione IUPAC Name: 1-(cyclopropylmethyl)-8-nitro-3-(thiophen-2-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione Traditional Name: 1-(cyclopropylmethyl)-8-nitro-3-(2-thenyl)-3,4-dihydro-1,4-benzodiazepine-2,5-quinone Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN2C3=C(C=CC(=C3)[N+](=O)[O-])C(=O)NC(C2=O)CC4=CC=CS4

Isomeric SMILES

C1CC1CN2C3=C(C=CC(=C3)[N+](=O)[O-])C(=O)NC(C2=O)CC4=CC=CS4

InChI

InChI=1S/C18H17N3O4S/c22-17-14-6-5-12(21(24)25)8-16(14)20(10-11-3-4-11)18(23)15(19-17)9-13-2-1-7-26-13/h1-2,5-8,11,15H,3-4,9-10H2,(H,19,22)