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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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