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

Systemtic Name: N-[3-[methyl-[2-(2-nitrophenoxy)ethanoyl]amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[methyl-[2-(2-nitrophenoxy)acetyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[methyl-[2-(2-nitrophenoxy)-1-oxoethyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[methyl-[2-(2-nitrophenoxy)acetyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: 4-keto-N-[3-[methyl-[2-(2-nitrophenoxy)acetyl]amino]propyl]-1H-quinazoline-2-carboxamide Formula: C21H21N5O6 MolecularWeight: 439.42134

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)C1=NC(=O)C2=CC=CC=C2N1)C(=O)COC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CN(CCCNC(=O)C1=NC(=O)C2=CC=CC=C2N1)C(=O)COC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O6/c1-25(18(27)13-32-17-10-5-4-9-16(17)26(30)31)12-6-11-22-21(29)19-23-15-8-3-2-7-14(15)20(28)24-19/h2-5,7-10H,6,11-13H2,1H3,(H,22,29)(H,23,24,28)