[2-[(4-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoate

Systemtic Name: [2-[(4-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoate Openeye Name: [2-(4-chloro-2-nitro-anilino)-2-oxo-ethyl] 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoate CAS Name: 3-(2,4-dimethyl-3-pyrimido[1,2-b]indazolyl)propanoic acid [2-(4-chloro-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-2-nitroanilino)-2-oxoethyl] 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoate Traditional Name: 3-(2,4-dimethylpyrimid[1,2-b]indazol-3-yl)propionic acid [2-(4-chloro-2-nitro-anilino)-2-keto-ethyl] ester Formula: C23H20ClN5O5 MolecularWeight: 481.8884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=C3C=CC=CC3=NN12)C)CCC(=O)OCC(=O)NC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC2=C3C=CC=CC3=NN12)C)CCC(=O)OCC(=O)NC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H20ClN5O5/c1-13-16(14(2)28-23(25-13)17-5-3-4-6-18(17)27-28)8-10-22(31)34-12-21(30)26-19-9-7-15(24)11-20(19)29(32)33/h3-7,9,11H,8,10,12H2,1-2H3,(H,26,30)