7-nitro-5-phenyl-1-prop-2-ynyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 7-nitro-5-phenyl-1-prop-2-ynyl-3H-1,4-benzodiazepin-2-one Openeye Name: 7-nitro-5-phenyl-1-prop-2-ynyl-3H-1,4-benzodiazepin-2-one CAS Name: 7-nitro-5-phenyl-1-prop-2-ynyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 7-nitro-5-phenyl-1-prop-2-ynyl-3H-1,4-benzodiazepin-2-one Traditional Name: 7-nitro-5-phenyl-1-propargyl-3H-1,4-benzodiazepin-2-one Formula: C18H13N3O3 MolecularWeight: 319.31412

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C#CCN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C18H13N3O3/c1-2-10-20-16-9-8-14(21(23)24)11-15(16)18(19-12-17(20)22)13-6-4-3-5-7-13/h1,3-9,11H,10,12H2