N-(2-methyl-3-oxidanylidene-4-prop-2-enyl-1,4-benzoxazin-6-yl)-3,5-dinitro-benzamide

Systemtic Name: N-(2-methyl-3-oxidanylidene-4-prop-2-enyl-1,4-benzoxazin-6-yl)-3,5-dinitro-benzamide Openeye Name: N-(4-allyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl)-3,5-dinitro-benzamide CAS Name: N-(2-methyl-3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl)-3,5-dinitrobenzamide IUPAC Name: N-(2-methyl-3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl)-3,5-dinitrobenzamide Traditional Name: N-(4-allyl-3-keto-2-methyl-1,4-benzoxazin-6-yl)-3,5-dinitro-benzamide Formula: C19H16N4O7 MolecularWeight: 412.35294

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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-])CC=C

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O7/c1-3-6-21-16-9-13(4-5-17(16)30-11(2)19(21)25)20-18(24)12-7-14(22(26)27)10-15(8-12)23(28)29/h3-5,7-11H,1,6H2,2H3,(H,20,24)