(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 7-chloranyl-1,3-benzodioxole-5-carboxylate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C18H14ClN5O4 MolecularWeight: 399.78786

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N)Cl

InChI

InChI=1S/C18H14ClN5O4/c19-12-6-10(7-13-15(12)28-9-27-13)16(25)26-8-14-22-17(20)24-18(23-14)21-11-4-2-1-3-5-11/h1-7H,8-9H2,(H3,20,21,22,23,24)