2-(4-methyl-2-nitro-phenyl)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]ethanamide

Systemtic Name: 2-(4-methyl-2-nitro-phenyl)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]ethanamide Openeye Name: 2-(4-methyl-2-nitro-phenyl)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]acetamide CAS Name: 2-(4-methyl-2-nitrophenyl)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]acetamide IUPAC Name: 2-(4-methyl-2-nitrophenyl)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]acetamide Traditional Name: 2-(4-methyl-2-nitro-phenyl)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]acetamide Formula: C17H14N4O7 MolecularWeight: 386.31566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N4O7/c1-10-2-3-11(13(4-10)20(23)24)6-17(22)19-18-8-12-5-15-16(28-9-27-15)7-14(12)21(25)26/h2-5,7-8H,6,9H2,1H3,(H,19,22)/b18-8+