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

Systemtic Name: (E)-2-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-(4-chloro-3-nitro-phenyl)prop-2-enenitrile CAS Name: (E)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-(4-chloro-3-nitrophenyl)-2-propenenitrile IUPAC Name: (E)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-(4-chloro-3-nitrophenyl)prop-2-enenitrile Traditional Name: (E)-2-(4-amino-6-anilino-s-triazin-2-yl)-3-(4-chloro-3-nitro-phenyl)acrylonitrile Formula: C18H12ClN7O2 MolecularWeight: 393.78658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)C(=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)/C(=C/C3=CC(=C(C=C3)Cl)[N+](=O)[O-])/C#N

InChI

InChI=1S/C18H12ClN7O2/c19-14-7-6-11(9-15(14)26(27)28)8-12(10-20)16-23-17(21)25-18(24-16)22-13-4-2-1-3-5-13/h1-9H,(H3,21,22,23,24,25)/b12-8+