2-[[4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]-2-(2-nitrophenyl)ethanoic acid

Systemtic Name: 2-[[4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]-2-(2-nitrophenyl)ethanoic acid Openeye Name: 2-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]-2-(2-nitrophenyl)acetic acid CAS Name: 2-[[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]-2-(2-nitrophenyl)acetic acid IUPAC Name: 2-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-2-(2-nitrophenyl)acetic acid Traditional Name: 2-[[4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzoyl]amino]-2-(2-nitrophenyl)acetic acid Formula: C28H23N5O6 MolecularWeight: 525.51212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)NC(C4=CC=CC=C4[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)NC(C4=CC=CC=C4[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C28H23N5O6/c1-3-14-32(16-18-8-13-23-22(15-18)27(35)30-17(2)29-23)20-11-9-19(10-12-20)26(34)31-25(28(36)37)21-6-4-5-7-24(21)33(38)39/h1,4-13,15,25H,14,16H2,2H3,(H,31,34)(H,36,37)(H,29,30,35)