7-nitro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

Systemtic Name: 7-nitro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one Openeye Name: 7-nitro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one CAS Name: 7-nitro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one IUPAC Name: 7-nitro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one Traditional Name: 7-nitro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one Formula: C30H22N6O6 MolecularWeight: 562.53228

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3.C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3

Isomeric SMILES

C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3.C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3

InChI

InChI=1S/2C15H11N3O3/c2*19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h2*1-8H,9H2,(H,17,19)