methyl 2-[1-[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]piperidin-3-yl]ethanoate

Systemtic Name: methyl 2-[1-[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]piperidin-3-yl]ethanoate Openeye Name: methyl 2-[1-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-3-piperidyl]acetate CAS Name: 2-[1-[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]-3-piperidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]piperidin-3-yl]acetate Traditional Name: 2-[1-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-3-piperidyl]acetic acid methyl ester Formula: C18H20ClN5O4 MolecularWeight: 405.8355

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CCCN(C1)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)CC1CCCN(C1)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H20ClN5O4/c1-28-16(25)9-12-3-2-8-23(11-12)17-15(24(26)27)10-20-18(22-17)21-14-6-4-13(19)5-7-14/h4-7,10,12H,2-3,8-9,11H2,1H3,(H,20,21,22)