N-[3-(diethylaminomethyl)-4-oxidanyl-phenyl]-2-methyl-3,5-dinitro-benzamide

Systemtic Name: N-[3-(diethylaminomethyl)-4-oxidanyl-phenyl]-2-methyl-3,5-dinitro-benzamide Openeye Name: N-[3-(diethylaminomethyl)-4-hydroxy-phenyl]-2-methyl-3,5-dinitro-benzamide CAS Name: N-[3-(diethylaminomethyl)-4-hydroxyphenyl]-2-methyl-3,5-dinitrobenzamide IUPAC Name: N-[3-(diethylaminomethyl)-4-hydroxyphenyl]-2-methyl-3,5-dinitrobenzamide Traditional Name: N-[3-(diethylaminomethyl)-4-hydroxy-phenyl]-2-methyl-3,5-dinitro-benzamide Formula: C19H22N4O6 MolecularWeight: 402.40118

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C(C=CC(=C1)NC(=O)C2=CC(=CC(=C2C)[N+](=O)[O-])[N+](=O)[O-])O

Isomeric SMILES

CCN(CC)CC1=C(C=CC(=C1)NC(=O)C2=CC(=CC(=C2C)[N+](=O)[O-])[N+](=O)[O-])O

InChI

InChI=1S/C19H22N4O6/c1-4-21(5-2)11-13-8-14(6-7-18(13)24)20-19(25)16-9-15(22(26)27)10-17(12(16)3)23(28)29/h6-10,24H,4-5,11H2,1-3H3,(H,20,25)