ethyl 3-[[6-(naphthalen-1-ylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 3-[[6-(naphthalen-1-ylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[[6-(1-naphthylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[6-(1-naphthalenylamino)-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(naphthalen-1-ylamino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[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=C1)NC2=C(C(=NC=N2)NC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)NC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

InChI

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