(E)-2-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-enenitrile CAS Name: (E)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-(4,5-dimethoxy-2-nitrophenyl)-2-propenenitrile IUPAC Name: (E)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enenitrile Traditional Name: (E)-2-(4-amino-6-anilino-s-triazin-2-yl)-3-(4,5-dimethoxy-2-nitro-phenyl)acrylonitrile Formula: C20H17N7O4 MolecularWeight: 419.39348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=C(C#N)C2=NC(=NC(=N2)NC3=CC=CC=C3)N)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)/C=C(\C#N)/C2=NC(=NC(=N2)NC3=CC=CC=C3)N)[N+](=O)[O-])OC

InChI

InChI=1S/C20H17N7O4/c1-30-16-9-12(15(27(28)29)10-17(16)31-2)8-13(11-21)18-24-19(22)26-20(25-18)23-14-6-4-3-5-7-14/h3-10H,1-2H3,(H3,22,23,24,25,26)/b13-8+