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

Systemtic Name: N-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-4-(ethylamino)-3-nitro-N-propyl-benzamide Openeye Name: N-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-4-(ethylamino)-3-nitro-N-propyl-benzamide CAS Name: N-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-4-(ethylamino)-3-nitro-N-propylbenzamide IUPAC Name: N-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-4-(ethylamino)-3-nitro-N-propylbenzamide Traditional Name: N-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl]-4-(ethylamino)-3-nitro-N-propyl-benzamide Formula: C21H22ClN5O4 MolecularWeight: 443.88348

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=O)C3=CC(=C(C=C3)NCC)[N+](=O)[O-]

Isomeric SMILES

CCCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=O)C3=CC(=C(C=C3)NCC)[N+](=O)[O-]

InChI

InChI=1S/C21H22ClN5O4/c1-3-9-26(12-19-24-17-11-14(22)6-7-15(17)20(28)25-19)21(29)13-5-8-16(23-4-2)18(10-13)27(30)31/h5-8,10-11,23H,3-4,9,12H2,1-2H3,(H,24,25,28)