methyl (2S)-3-(4-hydroxyphenyl)-2-[2-(6-nitro-4-oxidanylidene-quinazolin-3-yl)ethanoylamino]propanoate

Systemtic Name: methyl (2S)-3-(4-hydroxyphenyl)-2-[2-(6-nitro-4-oxidanylidene-quinazolin-3-yl)ethanoylamino]propanoate Openeye Name: methyl (2S)-3-(4-hydroxyphenyl)-2-[[2-(6-nitro-4-oxo-quinazolin-3-yl)acetyl]amino]propanoate CAS Name: (2S)-3-(4-hydroxyphenyl)-2-[[2-(6-nitro-4-oxo-3-quinazolinyl)-1-oxoethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(4-hydroxyphenyl)-2-[[2-(6-nitro-4-oxoquinazolin-3-yl)acetyl]amino]propanoate Traditional Name: (2S)-3-(4-hydroxyphenyl)-2-[[2-(4-keto-6-nitro-quinazolin-3-yl)acetyl]amino]propionic acid methyl ester Formula: C20H18N4O7 MolecularWeight: 426.37952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)O)NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O7/c1-31-20(28)17(8-12-2-5-14(25)6-3-12)22-18(26)10-23-11-21-16-7-4-13(24(29)30)9-15(16)19(23)27/h2-7,9,11,17,25H,8,10H2,1H3,(H,22,26)/t17-/m0/s1