methyl 4-[[6-[(4-fluorophenyl)methylamino]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 4-[[6-[(4-fluorophenyl)methylamino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[6-[(4-fluorophenyl)methylamino]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-[(4-fluorophenyl)methylamino]-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-[(4-fluorophenyl)methylamino]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-[(4-fluorobenzyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C19H16FN5O4 MolecularWeight: 397.359843

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C19H16FN5O4/c1-29-19(26)13-4-8-15(9-5-13)24-18-16(25(27)28)17(22-11-23-18)21-10-12-2-6-14(20)7-3-12/h2-9,11H,10H2,1H3,(H2,21,22,23,24)