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

Systemtic Name: methyl 4-[[6-(2,3-dihydroindol-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H17N5O4 MolecularWeight: 391.38008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N5O4/c1-29-20(26)14-6-8-15(9-7-14)23-18-17(25(27)28)19(22-12-21-18)24-11-10-13-4-2-3-5-16(13)24/h2-9,12H,10-11H2,1H3,(H,21,22,23)