7-methyl-2-[(2-nitrophenyl)amino]-4-(trifluoromethyl)-6,7,8,8a-tetrahydro-5H-quinazoline-1-carboxamide

Systemtic Name: 7-methyl-2-[(2-nitrophenyl)amino]-4-(trifluoromethyl)-6,7,8,8a-tetrahydro-5H-quinazoline-1-carboxamide Openeye Name: 7-methyl-2-(2-nitroanilino)-4-(trifluoromethyl)-6,7,8,8a-tetrahydro-5H-quinazoline-1-carboxamide CAS Name: 7-methyl-2-(2-nitroanilino)-4-(trifluoromethyl)-6,7,8,8a-tetrahydro-5H-quinazoline-1-carboxamide IUPAC Name: 7-methyl-2-(2-nitroanilino)-4-(trifluoromethyl)-6,7,8,8a-tetrahydro-5H-quinazoline-1-carboxamide Traditional Name: 7-methyl-2-(2-nitroanilino)-4-(trifluoromethyl)-6,7,8,8a-tetrahydro-5H-quinazoline-1-carboxamide Formula: C17H18F3N5O3 MolecularWeight: 397.35173

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(N=C(N(C2C1)C(=O)N)NC3=CC=CC=C3[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CC1CCC2=C(N=C(N(C2C1)C(=O)N)NC3=CC=CC=C3[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C17H18F3N5O3/c1-9-6-7-10-13(8-9)24(15(21)26)16(23-14(10)17(18,19)20)22-11-4-2-3-5-12(11)25(27)28/h2-5,9,13H,6-8H2,1H3,(H2,21,26)(H,22,23)