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

Systemtic Name: phenacyl 3-[(2,4-dinitrophenyl)amino]propanoate Openeye Name: phenacyl 3-(2,4-dinitroanilino)propanoate CAS Name: 3-(2,4-dinitroanilino)propanoic acid phenacyl ester IUPAC Name: phenacyl 3-(2,4-dinitroanilino)propanoate Traditional Name: 3-(2,4-dinitroanilino)propionic acid phenacyl ester Formula: C17H15N3O7 MolecularWeight: 373.3169

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)COC(=O)CCNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)CCNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O7/c21-16(12-4-2-1-3-5-12)11-27-17(22)8-9-18-14-7-6-13(19(23)24)10-15(14)20(25)26/h1-7,10,18H,8-9,11H2