2-[[2-[(4-acetamidophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid hydrochloride

Systemtic Name: 2-[[2-[(4-acetamidophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid hydrochloride Openeye Name: 2-[[2-(4-acetamidoanilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid hydrochloride CAS Name: 2-[[2-(4-acetamidoanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid hydrochloride IUPAC Name: 2-[[2-(4-acetamidoanilino)-5-nitropyrimidin-4-yl]amino]benzoic acid hydrochloride Traditional Name: 2-[[2-(4-acetamidoanilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid hydrochloride Formula: C19H17ClN6O5 MolecularWeight: 444.82848

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3C(=O)O)[N+](=O)[O-].Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3C(=O)O)[N+](=O)[O-].Cl

InChI

InChI=1S/C19H16N6O5.ClH/c1-11(26)21-12-6-8-13(9-7-12)22-19-20-10-16(25(29)30)17(24-19)23-15-5-3-2-4-14(15)18(27)28;/h2-10H,1H3,(H,21,26)(H,27,28)(H2,20,22,23,24);1H