ethyl 3-[[6-[(2-chlorophenyl)methylamino]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 3-[[6-[(2-chlorophenyl)methylamino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[[6-[(2-chlorophenyl)methylamino]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[6-[(2-chlorophenyl)methylamino]-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[6-[(2-chlorophenyl)methylamino]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[6-[(2-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(=CC=C1)NC2=C(C(=NC=N2)NCC3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)NCC3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

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