ethyl 2-[[6-(naphthalen-1-ylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 2-[[6-(naphthalen-1-ylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 2-[[6-(1-naphthylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[6-(1-naphthalenylamino)-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[6-(naphthalen-1-ylamino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[6-(1-naphthylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C23H19N5O4 MolecularWeight: 429.42806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H19N5O4/c1-2-32-23(29)17-11-5-6-12-19(17)27-22-20(28(30)31)21(24-14-25-22)26-18-13-7-9-15-8-3-4-10-16(15)18/h3-14H,2H2,1H3,(H2,24,25,26,27)