2-azanyl-N-[(E)-[4-(1,3-benzodioxol-5-ylamino)-4-oxidanylidene-butan-2-ylidene]amino]benzamide

Systemtic Name: 2-azanyl-N-[(E)-[4-(1,3-benzodioxol-5-ylamino)-4-oxidanylidene-butan-2-ylidene]amino]benzamide Openeye Name: 2-amino-N-[(E)-[3-(1,3-benzodioxol-5-ylamino)-1-methyl-3-oxo-propylidene]amino]benzamide CAS Name: 2-amino-N-[(E)-[4-(1,3-benzodioxol-5-ylamino)-4-oxobutan-2-ylidene]amino]benzamide IUPAC Name: 2-amino-N-[(E)-[4-(1,3-benzodioxol-5-ylamino)-4-oxobutan-2-ylidene]amino]benzamide Traditional Name: 2-amino-N-[(E)-[3-(1,3-benzodioxol-5-ylamino)-3-keto-1-methyl-propylidene]amino]benzamide Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=CC=C1N)CC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C/C(=N\NC(=O)C1=CC=CC=C1N)/CC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H18N4O4/c1-11(21-22-18(24)13-4-2-3-5-14(13)19)8-17(23)20-12-6-7-15-16(9-12)26-10-25-15/h2-7,9H,8,10,19H2,1H3,(H,20,23)(H,22,24)/b21-11+