2-methylpropyl 4-[[6-[(diphenylmethyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: 2-methylpropyl 4-[[6-[(diphenylmethyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[6-(benzhydrylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-[(diphenylmethyl)amino]-5-nitro-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[6-(benzhydrylamino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(benzhydrylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C28H27N5O4 MolecularWeight: 497.54508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H27N5O4/c1-19(2)17-37-28(34)22-13-15-23(16-14-22)31-26-25(33(35)36)27(30-18-29-26)32-24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,18-19,24H,17H2,1-2H3,(H2,29,30,31,32)