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

Systemtic Name: ethyl 4-[[6-[2-(2,2-diphenylethanoyl)hydrazinyl]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C27H24N6O5 MolecularWeight: 512.51666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=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

CCOC(=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/C27H24N6O5/c1-2-38-27(35)20-13-15-21(16-14-20)30-24-23(33(36)37)25(29-17-28-24)31-32-26(34)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-17,22H,2H2,1H3,(H,32,34)(H2,28,29,30,31)