ethyl 3-[[6-[(diphenylmethyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 3-[[6-[(diphenylmethyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[[6-(benzhydrylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[6-[(diphenylmethyl)amino]-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(benzhydrylamino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[6-(benzhydrylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C26H23N5O4 MolecularWeight: 469.49192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23N5O4/c1-2-35-26(32)20-14-9-15-21(16-20)29-24-23(31(33)34)25(28-17-27-24)30-22(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-17,22H,2H2,1H3,(H2,27,28,29,30)