N-[3-[2-(4-nitrophenoxy)ethanoyl-(phenylmethyl)amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide

Systemtic Name: N-[3-[2-(4-nitrophenoxy)ethanoyl-(phenylmethyl)amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[benzyl-[2-(4-nitrophenoxy)acetyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[[2-(4-nitrophenoxy)-1-oxoethyl]-(phenylmethyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[benzyl-[2-(4-nitrophenoxy)acetyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[3-[benzyl-[2-(4-nitrophenoxy)acetyl]amino]propyl]-4-keto-1H-quinazoline-2-carboxamide Formula: C27H25N5O6 MolecularWeight: 515.5173

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)C(=O)COC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN(CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)C(=O)COC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H25N5O6/c33-24(18-38-21-13-11-20(12-14-21)32(36)37)31(17-19-7-2-1-3-8-19)16-6-15-28-27(35)25-29-23-10-5-4-9-22(23)26(34)30-25/h1-5,7-14H,6,15-18H2,(H,28,35)(H,29,30,34)