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diethyl 2-[(11H-pyrrolo[2,1-c][1,4]benzodiazepin-6-ylamino)methylidene]propanedioate

diethyl 2-[(11H-pyrrolo[2,1-c][1,4]benzodiazepin-6-ylamino)methylidene]propanedioate

Systemtic Name:diethyl 2-[(11H-pyrrolo[2,1-c][1,4]benzodiazepin-6-ylamino)methylidene]propanedioate
Openeye Name:diethyl 2-[(11H-pyrrolo[2,1-c][1,4]benzodiazepin-6-ylamino)methylene]propanedioate
CAS Name:2-[(11H-pyrrolo[2,1-c][1,4]benzodiazepin-6-ylamino)methylidene]propanedioic acid diethyl ester
IUPAC Name:diethyl 2-[(11H-pyrrolo[2,1-c][1,4]benzodiazepin-6-ylamino)methylidene]propanedioate
Traditional Name:2-[(11H-pyrrolo[2,1-c][1,4]benzodiazepin-6-ylamino)methylene]malonic acid diethyl ester
Formula: C20H21N3O4
MolecularWeight: 367.39844
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=NC2=CC=CC=C2CN3C1=CC=C3)C(=O)OCC


Isomeric SMILES

CCOC(=O)C(=CNC1=NC2=CC=CC=C2CN3C1=CC=C3)C(=O)OCC


InChI

InChI=1S/C20H21N3O4/c1-3-26-19(24)15(20(25)27-4-2)12-21-18-17-10-7-11-23(17)13-14-8-5-6-9-16(14)22-18/h5-12H,3-4,13H2,1-2H3,(H,21,22)


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