3-methyl-N-[2-[(4-nitrophenyl)amino]ethyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide

Systemtic Name: 3-methyl-N-[2-[(4-nitrophenyl)amino]ethyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide Openeye Name: 5-isopropyl-3-methyl-N-[2-(4-nitroanilino)ethyl]isoxazole-4-carboxamide CAS Name: 3-methyl-N-[2-(4-nitroanilino)ethyl]-5-propan-2-yl-4-isoxazolecarboxamide IUPAC Name: 3-methyl-N-[2-(4-nitroanilino)ethyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide Traditional Name: 5-isopropyl-3-methyl-N-[2-(4-nitroanilino)ethyl]isoxazole-4-carboxamide Formula: C16H20N4O4 MolecularWeight: 332.3544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1C(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1=NOC(=C1C(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C16H20N4O4/c1-10(2)15-14(11(3)19-24-15)16(21)18-9-8-17-12-4-6-13(7-5-12)20(22)23/h4-7,10,17H,8-9H2,1-3H3,(H,18,21)