N-[3-[methyl-(5-nitrofuran-2-yl)carbonyl-amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide

Systemtic Name: N-[3-[methyl-(5-nitrofuran-2-yl)carbonyl-amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[methyl-(5-nitrofuran-2-carbonyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[methyl-[(5-nitro-2-furanyl)-oxomethyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[methyl-(5-nitrofuran-2-carbonyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: 4-keto-N-[3-[methyl-(5-nitro-2-furoyl)amino]propyl]-1H-quinazoline-2-carboxamide Formula: C18H17N5O6 MolecularWeight: 399.35748

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)C1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CN(CCCNC(=O)C1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O6/c1-22(18(26)13-7-8-14(29-13)23(27)28)10-4-9-19-17(25)15-20-12-6-3-2-5-11(12)16(24)21-15/h2-3,5-8H,4,9-10H2,1H3,(H,19,25)(H,20,21,24)