3-[(2,4-dinitrophenyl)-(phenylmethyl)amino]propanamide

Systemtic Name: 3-[(2,4-dinitrophenyl)-(phenylmethyl)amino]propanamide Openeye Name: 3-(N-benzyl-2,4-dinitro-anilino)propanamide CAS Name: 3-(2,4-dinitro-N-(phenylmethyl)anilino)propanamide IUPAC Name: 3-(N-benzyl-2,4-dinitroanilino)propanamide Traditional Name: 3-(N-benzyl-2,4-dinitro-anilino)propionamide Formula: C16H16N4O5 MolecularWeight: 344.32204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCC(=O)N)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN(CCC(=O)N)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O5/c17-16(21)8-9-18(11-12-4-2-1-3-5-12)14-7-6-13(19(22)23)10-15(14)20(24)25/h1-7,10H,8-9,11H2,(H2,17,21)