(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl (E)-3-(3-nitrophenyl)prop-2-enoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl (E)-3-(3-nitrophenyl)prop-2-enoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl (E)-3-(3-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(3-nitrophenyl)-2-propenoic 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 (E)-3-(3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(3-nitrophenyl)acrylic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C19H16N6O4 MolecularWeight: 392.36814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N6O4/c20-18-22-16(23-19(24-18)21-14-6-2-1-3-7-14)12-29-17(26)10-9-13-5-4-8-15(11-13)25(27)28/h1-11H,12H2,(H3,20,21,22,23,24)/b10-9+