5-azido-7-methyl-2,3,3a,10-tetrahydropyrrolo[1,2-b][2,4]benzodiazepin-1-one

Systemtic Name: 5-azido-7-methyl-2,3,3a,10-tetrahydropyrrolo[1,2-b][2,4]benzodiazepin-1-one Openeye Name: 5-azido-7-methyl-2,3,3a,10-tetrahydropyrrolo[1,2-b][2,4]benzodiazepin-1-one CAS Name: 5-azido-7-methyl-2,3,3a,10-tetrahydropyrrolo[1,2-b][2,4]benzodiazepin-1-one IUPAC Name: 5-azido-7-methyl-2,3,3a,10-tetrahydropyrrolo[1,2-b][2,4]benzodiazepin-1-one Traditional Name: 5-azido-7-methyl-2,3,3a,10-tetrahydropyrrolo[1,2-b][2,4]benzodiazepin-1-one Formula: C13H13N5O MolecularWeight: 255.27522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CN3C(CCC3=O)N=C2N=[N+]=[N-])C=C1

Isomeric SMILES

CC1=CC2=C(CN3C(CCC3=O)N=C2N=[N+]=[N-])C=C1

InChI

InChI=1S/C13H13N5O/c1-8-2-3-9-7-18-11(4-5-12(18)19)15-13(16-17-14)10(9)6-8/h2-3,6,11H,4-5,7H2,1H3