ethyl 2-[2-[(4-chlorophenyl)methyl-(5-nitroquinolin-8-yl)amino]butanoylamino]ethanoate

Systemtic Name: ethyl 2-[2-[(4-chlorophenyl)methyl-(5-nitroquinolin-8-yl)amino]butanoylamino]ethanoate Openeye Name: ethyl 2-[2-[(4-chlorophenyl)methyl-(5-nitro-8-quinolyl)amino]butanoylamino]acetate CAS Name: 2-[[2-[(4-chlorophenyl)methyl-(5-nitro-8-quinolinyl)amino]-1-oxobutyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[(4-chlorophenyl)methyl-(5-nitroquinolin-8-yl)amino]butanoylamino]acetate Traditional Name: 2-[2-[(4-chlorobenzyl)-(5-nitro-8-quinolyl)amino]butanoylamino]acetic acid ethyl ester Formula: C24H25ClN4O5 MolecularWeight: 484.9321

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC(=O)OCC)N(CC1=CC=C(C=C1)Cl)C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3

Isomeric SMILES

CCC(C(=O)NCC(=O)OCC)N(CC1=CC=C(C=C1)Cl)C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3

InChI

InChI=1S/C24H25ClN4O5/c1-3-19(24(31)27-14-22(30)34-4-2)28(15-16-7-9-17(25)10-8-16)21-12-11-20(29(32)33)18-6-5-13-26-23(18)21/h5-13,19H,3-4,14-15H2,1-2H3,(H,27,31)