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

Systemtic Name: N-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-3-methyl-4-nitro-benzamide Openeye Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-3-methyl-4-nitro-benzamide CAS Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-methyl-4-nitrobenzamide IUPAC Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-methyl-4-nitrobenzamide Traditional Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-3-methyl-4-nitro-benzamide Formula: C16H12BrN3O5 MolecularWeight: 406.18758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NN=CC2=CC3=C(C=C2Br)OCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N/N=C/C2=CC3=C(C=C2Br)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C16H12BrN3O5/c1-9-4-10(2-3-13(9)20(22)23)16(21)19-18-7-11-5-14-15(6-12(11)17)25-8-24-14/h2-7H,8H2,1H3,(H,19,21)/b18-7+