ethyl 3-[[6-[(4-methoxyphenyl)methylamino]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 3-[[6-[(4-methoxyphenyl)methylamino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[[6-[(4-methoxyphenyl)methylamino]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[6-[(4-methoxyphenyl)methylamino]-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[6-[(4-methoxyphenyl)methylamino]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[5-nitro-6-(p-anisylamino)pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C21H21N5O5 MolecularWeight: 423.42194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O5/c1-3-31-21(27)15-5-4-6-16(11-15)25-20-18(26(28)29)19(23-13-24-20)22-12-14-7-9-17(30-2)10-8-14/h4-11,13H,3,12H2,1-2H3,(H2,22,23,24,25)