2-chloranyl-N-[(E)-1-(4-dimethylaminophenyl)-3-[(2E)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]-3-oxidanylidene-prop-1-en-2-yl]benzamide

Systemtic Name: 2-chloranyl-N-[(E)-1-(4-dimethylaminophenyl)-3-[(2E)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]-3-oxidanylidene-prop-1-en-2-yl]benzamide Openeye Name: 2-chloro-N-[(E)-2-(4-dimethylaminophenyl)-1-[[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]carbamoyl]vinyl]benzamide CAS Name: 2-chloro-N-[(E)-1-(4-dimethylaminophenyl)-3-[(2E)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide IUPAC Name: 2-chloro-N-[(E)-1-(4-dimethylaminophenyl)-3-[(2E)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide Traditional Name: 2-chloro-N-[(E)-2-(4-dimethylaminophenyl)-1-[[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]carbamoyl]vinyl]benzamide Formula: C26H22ClN5O6 MolecularWeight: 535.93578

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=C(C(=O)NN=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)NC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C(\C(=O)N/N=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3)/NC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C26H22ClN5O6/c1-31(2)18-9-7-16(8-10-18)11-21(29-25(33)19-5-3-4-6-20(19)27)26(34)30-28-14-17-12-23-24(38-15-37-23)13-22(17)32(35)36/h3-14H,15H2,1-2H3,(H,29,33)(H,30,34)/b21-11+,28-14+