5-methoxy-7-nitro-5-phenyl-1H-1,4-benzodiazepin-2-one

Systemtic Name: 5-methoxy-7-nitro-5-phenyl-1H-1,4-benzodiazepin-2-one Openeye Name: 5-methoxy-7-nitro-5-phenyl-1H-1,4-benzodiazepin-2-one CAS Name: 5-methoxy-7-nitro-5-phenyl-1H-1,4-benzodiazepin-2-one IUPAC Name: 5-methoxy-7-nitro-5-phenyl-1H-1,4-benzodiazepin-2-one Traditional Name: 5-methoxy-7-nitro-5-phenyl-1H-1,4-benzodiazepin-2-one Formula: C16H13N3O4 MolecularWeight: 311.29212

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C2=C(C=CC(=C2)[N+](=O)[O-])NC(=O)C=N1)C3=CC=CC=C3

Isomeric SMILES

COC1(C2=C(C=CC(=C2)[N+](=O)[O-])NC(=O)C=N1)C3=CC=CC=C3

InChI

InChI=1S/C16H13N3O4/c1-23-16(11-5-3-2-4-6-11)13-9-12(19(21)22)7-8-14(13)18-15(20)10-17-16/h2-10H,1H3,(H,18,20)