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

Systemtic Name: N-[3-[2-(4-nitrophenoxy)ethanoylamino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[[2-(4-nitrophenoxy)acetyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[[2-(4-nitrophenoxy)-1-oxoethyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[[2-(4-nitrophenoxy)acetyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: 4-keto-N-[3-[[2-(4-nitrophenoxy)acetyl]amino]propyl]-1H-quinazoline-2-carboxamide Formula: C20H19N5O6 MolecularWeight: 425.39476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=O)NCCCNC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=O)NCCCNC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O6/c26-17(12-31-14-8-6-13(7-9-14)25(29)30)21-10-3-11-22-20(28)18-23-16-5-2-1-4-15(16)19(27)24-18/h1-2,4-9H,3,10-12H2,(H,21,26)(H,22,28)(H,23,24,27)