(E)-3-(3-methyl-4-oxidanyl-11-oxidanylidene-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl)prop-2-enamide

Systemtic Name: (E)-3-(3-methyl-4-oxidanyl-11-oxidanylidene-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl)prop-2-enamide Openeye Name: (E)-3-(4-hydroxy-3-methyl-11-oxo-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl)prop-2-enamide CAS Name: (E)-3-(4-hydroxy-3-methyl-11-oxo-8-pyrrolo[2,1-c][1,4]benzodiazepinyl)-2-propenamide IUPAC Name: (E)-3-(4-hydroxy-3-methyl-11-oxopyrrolo[2,1-c][1,4]benzodiazepin-8-yl)prop-2-enamide Traditional Name: (E)-3-(4-hydroxy-11-keto-3-methyl-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl)acrylamide Formula: C16H13N3O3 MolecularWeight: 295.29272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=O)N3C=C(C=C3C=N2)C=CC(=O)N)O

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=O)N3C=C(C=C3C=N2)/C=C/C(=O)N)O

InChI

InChI=1S/C16H13N3O3/c1-9-2-4-12-14(15(9)21)18-7-11-6-10(3-5-13(17)20)8-19(11)16(12)22/h2-8,21H,1H3,(H2,17,20)/b5-3+