methyl 2-[methyl-[6-(3-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 2-[methyl-[6-(3-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[methyl-[6-(3-methyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[methyl-[6-(3-methyl-1-piperidinyl)-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[methyl-[6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[methyl-[6-(3-methylpiperidino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C19H23N5O4 MolecularWeight: 385.41702

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C(=NC=N2)N(C)C3=CC=CC=C3C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C(=NC=N2)N(C)C3=CC=CC=C3C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H23N5O4/c1-13-7-6-10-23(11-13)18-16(24(26)27)17(20-12-21-18)22(2)15-9-5-4-8-14(15)19(25)28-3/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3