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

Systemtic Name: N-[2-methyl-3-oxidanylidene-4-(3-phenylpropyl)-1,4-benzoxazin-6-yl]-3,5-dinitro-benzamide Openeye Name: N-[2-methyl-3-oxo-4-(3-phenylpropyl)-1,4-benzoxazin-6-yl]-3,5-dinitro-benzamide CAS Name: N-[2-methyl-3-oxo-4-(3-phenylpropyl)-1,4-benzoxazin-6-yl]-3,5-dinitrobenzamide IUPAC Name: N-[2-methyl-3-oxo-4-(3-phenylpropyl)-1,4-benzoxazin-6-yl]-3,5-dinitrobenzamide Traditional Name: N-[3-keto-2-methyl-4-(3-phenylpropyl)-1,4-benzoxazin-6-yl]-3,5-dinitro-benzamide Formula: C25H22N4O7 MolecularWeight: 490.46478

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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-])CCCC4=CC=CC=C4

Isomeric SMILES

CC1C(=O)N(C2=C(O1)C=CC(=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])CCCC4=CC=CC=C4

InChI

InChI=1S/C25H22N4O7/c1-16-25(31)27(11-5-8-17-6-3-2-4-7-17)22-14-19(9-10-23(22)36-16)26-24(30)18-12-20(28(32)33)15-21(13-18)29(34)35/h2-4,6-7,9-10,12-16H,5,8,11H2,1H3,(H,26,30)