N-[(Z)-3-azanyl-1-(1,3-benzodioxol-5-yl)-3-oxidanylidene-prop-1-en-2-yl]-4-tert-butyl-benzamide

Systemtic Name: N-[(Z)-3-azanyl-1-(1,3-benzodioxol-5-yl)-3-oxidanylidene-prop-1-en-2-yl]-4-tert-butyl-benzamide Openeye Name: N-[(Z)-2-(1,3-benzodioxol-5-yl)-1-carbamoyl-vinyl]-4-tert-butyl-benzamide CAS Name: N-[(Z)-3-amino-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]-4-tert-butylbenzamide IUPAC Name: N-[(Z)-3-amino-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]-4-tert-butylbenzamide Traditional Name: N-[(Z)-2-(1,3-benzodioxol-5-yl)-1-carbamoyl-vinyl]-4-tert-butyl-benzamide Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=CC2=CC3=C(C=C2)OCO3)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4/c1-21(2,3)15-7-5-14(6-8-15)20(25)23-16(19(22)24)10-13-4-9-17-18(11-13)27-12-26-17/h4-11H,12H2,1-3H3,(H2,22,24)(H,23,25)/b16-10-