2-methylpropyl 4-[[6-(2,3-dihydroindol-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: 2-methylpropyl 4-[[6-(2,3-dihydroindol-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[(6-indolin-1-yl-5-nitro-pyrimidin-4-yl)amino]benzoate CAS Name: 4-[[6-(2,3-dihydroindol-1-yl)-5-nitro-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[(6-indolin-1-yl-5-nitro-pyrimidin-4-yl)amino]benzoic acid isobutyl ester Formula: C23H23N5O4 MolecularWeight: 433.45982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C43

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C43

InChI

InChI=1S/C23H23N5O4/c1-15(2)13-32-23(29)17-7-9-18(10-8-17)26-21-20(28(30)31)22(25-14-24-21)27-12-11-16-5-3-4-6-19(16)27/h3-10,14-15H,11-13H2,1-2H3,(H,24,25,26)