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

Systemtic Name: ethyl 4-[[6-[(4-chlorophenyl)methylamino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[6-[(4-chlorophenyl)methylamino]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-[(4-chlorophenyl)methylamino]-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[6-[(4-chlorophenyl)methylamino]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-[(4-chlorobenzyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C20H18ClN5O4 MolecularWeight: 427.84102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN5O4/c1-2-30-20(27)14-5-9-16(10-6-14)25-19-17(26(28)29)18(23-12-24-19)22-11-13-3-7-15(21)8-4-13/h3-10,12H,2,11H2,1H3,(H2,22,23,24,25)