3-[2-[1-methyl-6-nitro-2,4-bis(oxidanylidene)quinazolin-3-yl]ethanoylamino]-3-phenyl-propanoic acid

Systemtic Name: 3-[2-[1-methyl-6-nitro-2,4-bis(oxidanylidene)quinazolin-3-yl]ethanoylamino]-3-phenyl-propanoic acid Openeye Name: 3-[[2-(1-methyl-6-nitro-2,4-dioxo-quinazolin-3-yl)acetyl]amino]-3-phenyl-propanoic acid CAS Name: 3-[[2-(1-methyl-6-nitro-2,4-dioxo-3-quinazolinyl)-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[[2-(1-methyl-6-nitro-2,4-dioxoquinazolin-3-yl)acetyl]amino]-3-phenylpropanoic acid Traditional Name: 3-[[2-(2,4-diketo-1-methyl-6-nitro-quinazolin-3-yl)acetyl]amino]-3-phenyl-propionic acid Formula: C20H18N4O7 MolecularWeight: 426.37952

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N(C1=O)CC(=O)NC(CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N(C1=O)CC(=O)NC(CC(=O)O)C3=CC=CC=C3

InChI

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