3-chloranyl-4-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzamide

Systemtic Name: 3-chloranyl-4-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzamide Openeye Name: 3-chloro-4-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]benzamide CAS Name: 3-chloro-4-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzamide IUPAC Name: 3-chloro-4-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzamide Traditional Name: 3-chloro-4-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]benzamide Formula: C16H12ClN3O5 MolecularWeight: 361.73658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NN=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N/N=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3)Cl

InChI

InChI=1S/C16H12ClN3O5/c1-9-2-3-10(4-12(9)17)16(21)19-18-7-11-5-14-15(25-8-24-14)6-13(11)20(22)23/h2-7H,8H2,1H3,(H,19,21)/b18-7+