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

Systemtic Name: 2-[[4-[(2-methyl-4-nitro-phenyl)diazenyl]-3-(propanoylamino)phenyl]amino]ethyl ethanoate Openeye Name: 2-[4-(2-methyl-4-nitro-phenyl)azo-3-(propanoylamino)anilino]ethyl acetate CAS Name: acetic acid 2-[4-(2-methyl-4-nitrophenyl)azo-3-(1-oxopropylamino)anilino]ethyl ester IUPAC Name: 2-[4-[(2-methyl-4-nitrophenyl)diazenyl]-3-(propanoylamino)anilino]ethyl acetate Traditional Name: acetic acid 2-[4-(2-methyl-4-nitro-phenyl)azo-3-propionamido-anilino]ethyl ester Formula: C20H23N5O5 MolecularWeight: 413.42712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O5/c1-4-20(27)22-19-12-15(21-9-10-30-14(3)26)5-7-18(19)24-23-17-8-6-16(25(28)29)11-13(17)2/h5-8,11-12,21H,4,9-10H2,1-3H3,(H,22,27)