4-[[6-[(3-ethanoylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[6-[(3-ethanoylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[6-(3-acetylanilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[6-(3-acetylanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[6-(3-acetylanilino)-5-nitropyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[6-(3-acetylanilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid Formula: C19H15N5O5 MolecularWeight: 393.3529

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15N5O5/c1-11(25)13-3-2-4-15(9-13)23-18-16(24(28)29)17(20-10-21-18)22-14-7-5-12(6-8-14)19(26)27/h2-10H,1H3,(H,26,27)(H2,20,21,22,23)