ethyl 1-[6-[(3-ethanoylphenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[6-[(3-ethanoylphenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[6-(3-acetylanilino)-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[6-(3-acetylanilino)-5-nitro-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(3-acetylanilino)-5-nitropyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[6-(3-acetylanilino)-5-nitro-pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C20H23N5O5 MolecularWeight: 413.42712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NC3=CC=CC(=C3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NC3=CC=CC(=C3)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O5/c1-3-30-20(27)15-7-5-9-24(11-15)19-17(25(28)29)18(21-12-22-19)23-16-8-4-6-14(10-16)13(2)26/h4,6,8,10,12,15H,3,5,7,9,11H2,1-2H3,(H,21,22,23)