4-[[6-[(4-ethoxycarbonylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[6-[(4-ethoxycarbonylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[6-(4-ethoxycarbonylanilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[6-(4-ethoxycarbonylanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[6-(4-ethoxycarbonylanilino)-5-nitropyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[6-(4-carbethoxyanilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid Formula: C20H17N5O6 MolecularWeight: 423.37888

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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=C(C=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H17N5O6/c1-2-31-20(28)13-5-9-15(10-6-13)24-18-16(25(29)30)17(21-11-22-18)23-14-7-3-12(4-8-14)19(26)27/h3-11H,2H2,1H3,(H,26,27)(H2,21,22,23,24)