2,2,4-trimethyl-7-nitro-N-(1H-pyrrol-2-ylmethyl)-3H-1,4-benzoxazine-6-carboxamide

Systemtic Name: 2,2,4-trimethyl-7-nitro-N-(1H-pyrrol-2-ylmethyl)-3H-1,4-benzoxazine-6-carboxamide Openeye Name: 2,2,4-trimethyl-7-nitro-N-(1H-pyrrol-2-ylmethyl)-3H-1,4-benzoxazine-6-carboxamide CAS Name: 2,2,4-trimethyl-7-nitro-N-(1H-pyrrol-2-ylmethyl)-3H-1,4-benzoxazine-6-carboxamide IUPAC Name: 2,2,4-trimethyl-7-nitro-N-(1H-pyrrol-2-ylmethyl)-3H-1,4-benzoxazine-6-carboxamide Traditional Name: 2,2,4-trimethyl-7-nitro-N-(1H-pyrrol-2-ylmethyl)-3H-1,4-benzoxazine-6-carboxamide Formula: C17H20N4O4 MolecularWeight: 344.3651

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C2=C(O1)C=C(C(=C2)C(=O)NCC3=CC=CN3)[N+](=O)[O-])C)C

Isomeric SMILES

CC1(CN(C2=C(O1)C=C(C(=C2)C(=O)NCC3=CC=CN3)[N+](=O)[O-])C)C

InChI

InChI=1S/C17H20N4O4/c1-17(2)10-20(3)14-7-12(13(21(23)24)8-15(14)25-17)16(22)19-9-11-5-4-6-18-11/h4-8,18H,9-10H2,1-3H3,(H,19,22)