2-methylpropyl 4-[[6-[2-(2,2-diphenylethanoyl)hydrazinyl]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: 2-methylpropyl 4-[[6-[2-(2,2-diphenylethanoyl)hydrazinyl]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[6-[2-(2,2-diphenylacetyl)hydrazino]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-nitro-6-[(1-oxo-2,2-diphenylethyl)hydrazo]-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[6-[2-(2,2-diphenylacetyl)hydrazinyl]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-[N'-(2,2-diphenylacetyl)hydrazino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C29H28N6O5 MolecularWeight: 540.56982

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H28N6O5/c1-19(2)17-40-29(37)22-13-15-23(16-14-22)32-26-25(35(38)39)27(31-18-30-26)33-34-28(36)24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,18-19,24H,17H2,1-2H3,(H,34,36)(H2,30,31,32,33)