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

Systemtic Name: N-[3-[(4-chloranyl-3-nitro-phenyl)carbonylamino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[(4-chloro-3-nitro-benzoyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[(4-chloro-3-nitrobenzoyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[3-[(4-chloro-3-nitro-benzoyl)amino]propyl]-4-keto-1H-quinazoline-2-carboxamide Formula: C19H16ClN5O5 MolecularWeight: 429.81384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClN5O5/c20-13-7-6-11(10-15(13)25(29)30)17(26)21-8-3-9-22-19(28)16-23-14-5-2-1-4-12(14)18(27)24-16/h1-2,4-7,10H,3,8-9H2,(H,21,26)(H,22,28)(H,23,24,27)