2-[(3-methylphenyl)amino]-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]ethanamide

Systemtic Name: 2-[(3-methylphenyl)amino]-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]ethanamide Openeye Name: 2-(3-methylanilino)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]acetamide CAS Name: 2-(3-methylanilino)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]acetamide IUPAC Name: 2-(3-methylanilino)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]acetamide Traditional Name: 2-(m-toluidino)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]acetamide Formula: C17H16N4O5 MolecularWeight: 356.33274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O5/c1-11-3-2-4-13(5-11)18-9-17(22)20-19-8-12-6-15-16(26-10-25-15)7-14(12)21(23)24/h2-8,18H,9-10H2,1H3,(H,20,22)/b19-8+