1-(2-methylphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]urea

Systemtic Name: 1-(2-methylphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]urea Openeye Name: 1-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-3-(o-tolyl)urea CAS Name: 1-(2-methylphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]urea IUPAC Name: 1-(2-methylphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]urea Traditional Name: 1-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-3-(o-tolyl)urea Formula: C16H14N4O5 MolecularWeight: 342.30616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NN=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NN=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C16H14N4O5/c1-10-4-2-3-5-12(10)18-16(21)19-17-8-11-6-14-15(25-9-24-14)7-13(11)20(22)23/h2-8H,9H2,1H3,(H2,18,19,21)