ethyl 4-[(5-nitro-6-phenylazanyl-pyrimidin-4-yl)amino]benzoate

Systemtic Name: ethyl 4-[(5-nitro-6-phenylazanyl-pyrimidin-4-yl)amino]benzoate Openeye Name: ethyl 4-[(6-anilino-5-nitro-pyrimidin-4-yl)amino]benzoate CAS Name: 4-[(6-anilino-5-nitro-4-pyrimidinyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(6-anilino-5-nitropyrimidin-4-yl)amino]benzoate Traditional Name: 4-[(6-anilino-5-nitro-pyrimidin-4-yl)amino]benzoic acid ethyl ester Formula: C19H17N5O4 MolecularWeight: 379.36938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3

InChI

InChI=1S/C19H17N5O4/c1-2-28-19(25)13-8-10-15(11-9-13)23-18-16(24(26)27)17(20-12-21-18)22-14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H2,20,21,22,23)