propyl 2-methyl-4-[(2,4,6-trinitrophenyl)amino]benzoate

Systemtic Name: propyl 2-methyl-4-[(2,4,6-trinitrophenyl)amino]benzoate Openeye Name: propyl 2-methyl-4-(2,4,6-trinitroanilino)benzoate CAS Name: 2-methyl-4-(2,4,6-trinitroanilino)benzoic acid propyl ester IUPAC Name: propyl 2-methyl-4-(2,4,6-trinitroanilino)benzoate Traditional Name: 2-methyl-4-(2,4,6-trinitroanilino)benzoic acid propyl ester Formula: C17H16N4O8 MolecularWeight: 404.33094

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(C=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CCCOC(=O)C1=C(C=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C17H16N4O8/c1-3-6-29-17(22)13-5-4-11(7-10(13)2)18-16-14(20(25)26)8-12(19(23)24)9-15(16)21(27)28/h4-5,7-9,18H,3,6H2,1-2H3