N-[3-methyl-1-[(2E)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]-1-oxidanylidene-but-2-en-2-yl]benzamide

Systemtic Name: N-[3-methyl-1-[(2E)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]-1-oxidanylidene-but-2-en-2-yl]benzamide Openeye Name: N-[2-methyl-1-[[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]carbamoyl]prop-1-enyl]benzamide CAS Name: N-[3-methyl-1-[(2E)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]-1-oxobut-2-en-2-yl]benzamide IUPAC Name: N-[3-methyl-1-[(2E)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]-1-oxobut-2-en-2-yl]benzamide Traditional Name: N-[2-methyl-1-[[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]carbamoyl]prop-1-enyl]benzamide Formula: C20H18N4O6 MolecularWeight: 410.38012

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)NN=CC1=CC2=C(C=C1[N+](=O)[O-])OCO2)NC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC(=C(C(=O)N/N=C/C1=CC2=C(C=C1[N+](=O)[O-])OCO2)NC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C20H18N4O6/c1-12(2)18(22-19(25)13-6-4-3-5-7-13)20(26)23-21-10-14-8-16-17(30-11-29-16)9-15(14)24(27)28/h3-10H,11H2,1-2H3,(H,22,25)(H,23,26)/b21-10+