1-[6-[(4-acetamidophenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-[(4-acetamidophenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-(4-acetamidoanilino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-(4-acetamidoanilino)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-(4-acetamidoanilino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-(4-acetamidoanilino)-5-nitro-pyrimidin-4-yl]isonipecotic acid Formula: C18H20N6O5 MolecularWeight: 400.3886

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)O

InChI

InChI=1S/C18H20N6O5/c1-11(25)21-13-2-4-14(5-3-13)22-16-15(24(28)29)17(20-10-19-16)23-8-6-12(7-9-23)18(26)27/h2-5,10,12H,6-9H2,1H3,(H,21,25)(H,26,27)(H,19,20,22)