ethyl 4-[[6-[(4-ethoxycarbonylphenyl)amino]-3,5-dinitro-pyridin-2-yl]amino]benzoate

Systemtic Name: ethyl 4-[[6-[(4-ethoxycarbonylphenyl)amino]-3,5-dinitro-pyridin-2-yl]amino]benzoate Openeye Name: ethyl 4-[[6-(4-ethoxycarbonylanilino)-3,5-dinitro-2-pyridyl]amino]benzoate CAS Name: 4-[[6-(4-ethoxycarbonylanilino)-3,5-dinitro-2-pyridinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[6-(4-ethoxycarbonylanilino)-3,5-dinitropyridin-2-yl]amino]benzoate Traditional Name: 4-[[6-(4-carbethoxyanilino)-3,5-dinitro-2-pyridyl]amino]benzoic acid ethyl ester Formula: C23H21N5O8 MolecularWeight: 495.44154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=C(C=C(C(=N2)NC3=CC=C(C=C3)C(=O)OCC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=C(C=C(C(=N2)NC3=CC=C(C=C3)C(=O)OCC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H21N5O8/c1-3-35-22(29)14-5-9-16(10-6-14)24-20-18(27(31)32)13-19(28(33)34)21(26-20)25-17-11-7-15(8-12-17)23(30)36-4-2/h5-13H,3-4H2,1-2H3,(H2,24,25,26)