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

Systemtic Name: ethyl 4-[[6-[(2-chloranylpyridin-3-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[6-[(2-chloro-3-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-[(2-chloro-3-pyridinyl)amino]-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[6-[(2-chloropyridin-3-yl)amino]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-[(2-chloro-3-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C18H15ClN6O4 MolecularWeight: 414.8025

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=C(N=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=C(N=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H15ClN6O4/c1-2-29-18(26)11-5-7-12(8-6-11)23-16-14(25(27)28)17(22-10-21-16)24-13-4-3-9-20-15(13)19/h3-10H,2H2,1H3,(H2,21,22,23,24)