N-[1-(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)ethyl]-4-methyl-3-nitro-N-propyl-benzamide

Systemtic Name: N-[1-(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)ethyl]-4-methyl-3-nitro-N-propyl-benzamide Openeye Name: N-[1-(7-chloro-4-oxo-1H-quinazolin-2-yl)ethyl]-4-methyl-3-nitro-N-propyl-benzamide CAS Name: N-[1-(7-chloro-4-oxo-1H-quinazolin-2-yl)ethyl]-4-methyl-3-nitro-N-propylbenzamide IUPAC Name: N-[1-(7-chloro-4-oxo-1H-quinazolin-2-yl)ethyl]-4-methyl-3-nitro-N-propylbenzamide Traditional Name: N-[1-(7-chloro-4-keto-1H-quinazolin-2-yl)ethyl]-4-methyl-3-nitro-N-propyl-benzamide Formula: C21H21ClN4O4 MolecularWeight: 428.86884

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(C)C1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCCN(C(C)C1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H21ClN4O4/c1-4-9-25(21(28)14-6-5-12(2)18(10-14)26(29)30)13(3)19-23-17-11-15(22)7-8-16(17)20(27)24-19/h5-8,10-11,13H,4,9H2,1-3H3,(H,23,24,27)