2-[2-acetyloxyethyl-[4-[(2-chloranyl-4-nitro-phenyl)diazenyl]-3-(propanoylamino)phenyl]amino]ethyl ethanoate

Systemtic Name: 2-[2-acetyloxyethyl-[4-[(2-chloranyl-4-nitro-phenyl)diazenyl]-3-(propanoylamino)phenyl]amino]ethyl ethanoate Openeye Name: 2-[N-(2-acetoxyethyl)-4-(2-chloro-4-nitro-phenyl)azo-3-(propanoylamino)anilino]ethyl acetate CAS Name: acetic acid 2-[N-(2-acetyloxyethyl)-4-(2-chloro-4-nitrophenyl)azo-3-(1-oxopropylamino)anilino]ethyl ester IUPAC Name: 2-[N-(2-acetyloxyethyl)-4-[(2-chloro-4-nitrophenyl)diazenyl]-3-(propanoylamino)anilino]ethyl acetate Traditional Name: acetic acid 2-[N-(2-acetoxyethyl)-4-(2-chloro-4-nitro-phenyl)azo-3-propionamido-anilino]ethyl ester Formula: C23H26ClN5O7 MolecularWeight: 519.93484

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=CC(=C1)N(CCOC(=O)C)CCOC(=O)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCC(=O)NC1=C(C=CC(=C1)N(CCOC(=O)C)CCOC(=O)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C23H26ClN5O7/c1-4-23(32)25-22-14-17(28(9-11-35-15(2)30)10-12-36-16(3)31)5-8-21(22)27-26-20-7-6-18(29(33)34)13-19(20)24/h5-8,13-14H,4,9-12H2,1-3H3,(H,25,32)