methyl 2-[[6-[(4-chlorophenyl)methylamino]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate

Systemtic Name: methyl 2-[[6-[(4-chlorophenyl)methylamino]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate Openeye Name: methyl 2-[[6-[(4-chlorophenyl)methylamino]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate CAS Name: 2-[[6-[(4-chlorophenyl)methylamino]-5-nitro-4-pyrimidinyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-[(4-chlorophenyl)methylamino]-5-nitropyrimidin-4-yl]-methylamino]benzoate Traditional Name: 2-[[6-[(4-chlorobenzyl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoic acid methyl ester Formula: C20H18ClN5O4 MolecularWeight: 427.84102

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=C(C=C3)Cl

InChI

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