N-[3-[(2-chloranyl-4-nitro-phenyl)carbonyl-methyl-amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide

Systemtic Name: N-[3-[(2-chloranyl-4-nitro-phenyl)carbonyl-methyl-amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[(2-chloro-4-nitro-benzoyl)-methyl-amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[[(2-chloro-4-nitrophenyl)-oxomethyl]-methylamino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[(2-chloro-4-nitrobenzoyl)-methylamino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[3-[(2-chloro-4-nitro-benzoyl)-methyl-amino]propyl]-4-keto-1H-quinazoline-2-carboxamide Formula: C20H18ClN5O5 MolecularWeight: 443.84042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN5O5/c1-25(20(29)13-8-7-12(26(30)31)11-15(13)21)10-4-9-22-19(28)17-23-16-6-3-2-5-14(16)18(27)24-17/h2-3,5-8,11H,4,9-10H2,1H3,(H,22,28)(H,23,24,27)