(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-ethoxy-5-methoxy-2-nitro-benzoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic 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 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C20H20N6O6 MolecularWeight: 440.4094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)OC

InChI

InChI=1S/C20H20N6O6/c1-3-31-16-10-14(26(28)29)13(9-15(16)30-2)18(27)32-11-17-23-19(21)25-20(24-17)22-12-7-5-4-6-8-12/h4-10H,3,11H2,1-2H3,(H3,21,22,23,24,25)