7-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-6-nitro-1H-quinazolin-4-one

Systemtic Name: 7-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-6-nitro-1H-quinazolin-4-one Openeye Name: 7-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-6-nitro-1H-quinazolin-4-one CAS Name: 7-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-6-nitro-1H-quinazolin-4-one IUPAC Name: 7-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-6-nitro-1H-quinazolin-4-one Traditional Name: 7-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-6-nitro-1H-quinazolin-4-one Formula: C18H18ClN5O3 MolecularWeight: 387.82022

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC1=C(C=C2C(=C1)NC=NC2=O)[N+](=O)[O-])C3=CC=CC=C3Cl

Isomeric SMILES

CN(C)C(CNC1=C(C=C2C(=C1)NC=NC2=O)[N+](=O)[O-])C3=CC=CC=C3Cl

InChI

InChI=1S/C18H18ClN5O3/c1-23(2)17(11-5-3-4-6-13(11)19)9-20-15-8-14-12(7-16(15)24(26)27)18(25)22-10-21-14/h3-8,10,17,20H,9H2,1-2H3,(H,21,22,25)