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

Systemtic Name: 7-nitro-4-phenyl-1-prop-2-enyl-3H-1,5-benzodiazepin-2-one Openeye Name: 1-allyl-7-nitro-4-phenyl-3H-1,5-benzodiazepin-2-one CAS Name: 7-nitro-4-phenyl-1-prop-2-enyl-3H-1,5-benzodiazepin-2-one IUPAC Name: 7-nitro-4-phenyl-1-prop-2-enyl-3H-1,5-benzodiazepin-2-one Traditional Name: 1-allyl-7-nitro-4-phenyl-3H-1,5-benzodiazepin-2-one Formula: C18H15N3O3 MolecularWeight: 321.33

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)CC(=NC2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=O)CC(=NC2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C18H15N3O3/c1-2-10-20-17-9-8-14(21(23)24)11-16(17)19-15(12-18(20)22)13-6-4-3-5-7-13/h2-9,11H,1,10,12H2