3-[bis(oxidanyl)methylidene]-7-nitro-5-phenyl-1H-1,4-benzodiazepin-2-one

Systemtic Name: 3-[bis(oxidanyl)methylidene]-7-nitro-5-phenyl-1H-1,4-benzodiazepin-2-one Openeye Name: 3-(dihydroxymethylene)-7-nitro-5-phenyl-1H-1,4-benzodiazepin-2-one CAS Name: 3-(dihydroxymethylidene)-7-nitro-5-phenyl-1H-1,4-benzodiazepin-2-one IUPAC Name: 3-(dihydroxymethylidene)-7-nitro-5-phenyl-1H-1,4-benzodiazepin-2-one Traditional Name: 3-(dihydroxymethylene)-7-nitro-5-phenyl-1H-1,4-benzodiazepin-2-one Formula: C16H11N3O5 MolecularWeight: 325.27564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(O)O)C(=O)NC3=C2C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(O)O)C(=O)NC3=C2C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H11N3O5/c20-15-14(16(21)22)18-13(9-4-2-1-3-5-9)11-8-10(19(23)24)6-7-12(11)17-15/h1-8,21-22H,(H,17,20)