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

Systemtic Name: 3-chloranyl-4-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]aniline Openeye Name: 3-chloro-4-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]aniline CAS Name: 3-chloro-4-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]aniline IUPAC Name: 3-chloro-4-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]aniline Traditional Name: (3-chloro-4-methyl-phenyl)-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]amine Formula: C15H12ClN3O4 MolecularWeight: 333.72648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12ClN3O4/c1-9-2-3-11(5-12(9)16)18-17-7-10-4-14-15(23-8-22-14)6-13(10)19(20)21/h2-7,18H,8H2,1H3/b17-7+