methyl 4-[(E)-3-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methoxy]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methoxy]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methoxy]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methoxy]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methoxy]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-[(4-amino-6-anilino-s-triazin-2-yl)methoxy]-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C21H19N5O4 MolecularWeight: 405.40666

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C21H19N5O4/c1-29-19(28)15-10-7-14(8-11-15)9-12-18(27)30-13-17-24-20(22)26-21(25-17)23-16-5-3-2-4-6-16/h2-12H,13H2,1H3,(H3,22,23,24,25,26)/b12-9+