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

Systemtic Name: ethyl 3-[(2,4-dinitrophenyl)-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-(N-benzyl-2,4-dinitro-anilino)propanoate CAS Name: 3-(2,4-dinitro-N-(phenylmethyl)anilino)propanoic acid ethyl ester IUPAC Name: ethyl 3-(N-benzyl-2,4-dinitroanilino)propanoate Traditional Name: 3-(N-benzyl-2,4-dinitro-anilino)propionic acid ethyl ester Formula: C18H19N3O6 MolecularWeight: 373.35996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O6/c1-2-27-18(22)10-11-19(13-14-6-4-3-5-7-14)16-9-8-15(20(23)24)12-17(16)21(25)26/h3-9,12H,2,10-11,13H2,1H3