7-chloranyl-5-(2-nitrophenyl)-1-(3-oxidanylpropyl)-1,5-benzodiazepine-2,4-dione

Systemtic Name: 7-chloranyl-5-(2-nitrophenyl)-1-(3-oxidanylpropyl)-1,5-benzodiazepine-2,4-dione Openeye Name: 7-chloro-1-(3-hydroxypropyl)-5-(2-nitrophenyl)-1,5-benzodiazepine-2,4-dione CAS Name: 7-chloro-1-(3-hydroxypropyl)-5-(2-nitrophenyl)-1,5-benzodiazepine-2,4-dione IUPAC Name: 7-chloro-1-(3-hydroxypropyl)-5-(2-nitrophenyl)-1,5-benzodiazepine-2,4-dione Traditional Name: 7-chloro-1-(3-hydroxypropyl)-5-(2-nitrophenyl)-1,5-benzodiazepine-2,4-quinone Formula: C18H16ClN3O5 MolecularWeight: 389.78974

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(C=C(C=C2)Cl)N(C1=O)C3=CC=CC=C3[N+](=O)[O-])CCCO

Isomeric SMILES

C1C(=O)N(C2=C(C=C(C=C2)Cl)N(C1=O)C3=CC=CC=C3[N+](=O)[O-])CCCO

InChI

InChI=1S/C18H16ClN3O5/c19-12-6-7-13-16(10-12)21(14-4-1-2-5-15(14)22(26)27)18(25)11-17(24)20(13)8-3-9-23/h1-2,4-7,10,23H,3,8-9,11H2