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

Systemtic Name: 2-[(2-nitrophenyl)amino]-4-(trifluoromethyl)-6,7,8,8a-tetrahydro-5H-quinazoline-1-carboxamide Openeye Name: 2-(2-nitroanilino)-4-(trifluoromethyl)-6,7,8,8a-tetrahydro-5H-quinazoline-1-carboxamide CAS Name: 2-(2-nitroanilino)-4-(trifluoromethyl)-6,7,8,8a-tetrahydro-5H-quinazoline-1-carboxamide IUPAC Name: 2-(2-nitroanilino)-4-(trifluoromethyl)-6,7,8,8a-tetrahydro-5H-quinazoline-1-carboxamide Traditional Name: 2-(2-nitroanilino)-4-(trifluoromethyl)-6,7,8,8a-tetrahydro-5H-quinazoline-1-carboxamide Formula: C16H16F3N5O3 MolecularWeight: 383.32515

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(N(C2C1)C(=O)N)NC3=CC=CC=C3[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1CCC2=C(N=C(N(C2C1)C(=O)N)NC3=CC=CC=C3[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C16H16F3N5O3/c17-16(18,19)13-9-5-1-3-7-11(9)23(14(20)25)15(22-13)21-10-6-2-4-8-12(10)24(26)27/h2,4,6,8,11H,1,3,5,7H2,(H2,20,25)(H,21,22)