N-[4-[3-(dimethylamino)propyl]-2-methyl-3-oxidanylidene-1,4-benzoxazin-6-yl]-3,5-dinitro-benzamide

Systemtic Name: N-[4-[3-(dimethylamino)propyl]-2-methyl-3-oxidanylidene-1,4-benzoxazin-6-yl]-3,5-dinitro-benzamide Openeye Name: N-[4-[3-(dimethylamino)propyl]-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-3,5-dinitro-benzamide CAS Name: N-[4-[3-(dimethylamino)propyl]-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-3,5-dinitrobenzamide IUPAC Name: N-[4-[3-(dimethylamino)propyl]-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-3,5-dinitrobenzamide Traditional Name: N-[4-[3-(dimethylamino)propyl]-3-keto-2-methyl-1,4-benzoxazin-6-yl]-3,5-dinitro-benzamide Formula: C21H23N5O7 MolecularWeight: 457.43662

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])CCCN(C)C

Isomeric SMILES

CC1C(=O)N(C2=C(O1)C=CC(=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])CCCN(C)C

InChI

InChI=1S/C21H23N5O7/c1-13-21(28)24(8-4-7-23(2)3)18-11-15(5-6-19(18)33-13)22-20(27)14-9-16(25(29)30)12-17(10-14)26(31)32/h5-6,9-13H,4,7-8H2,1-3H3,(H,22,27)