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

Systemtic Name: ethyl 1-[6-[(3-bromophenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[6-(3-bromoanilino)-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[6-(3-bromoanilino)-5-nitro-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(3-bromoanilino)-5-nitropyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[6-(3-bromoanilino)-5-nitro-pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C18H20BrN5O4 MolecularWeight: 450.2865

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrN5O4/c1-2-28-18(25)12-5-4-8-23(10-12)17-15(24(26)27)16(20-11-21-17)22-14-7-3-6-13(19)9-14/h3,6-7,9,11-12H,2,4-5,8,10H2,1H3,(H,20,21,22)