1-[(4-methyl-2,6-dinitro-phenyl)-prop-2-enyl-amino]propan-2-ol

Systemtic Name: 1-[(4-methyl-2,6-dinitro-phenyl)-prop-2-enyl-amino]propan-2-ol Openeye Name: 1-(N-allyl-4-methyl-2,6-dinitro-anilino)propan-2-ol CAS Name: 1-(4-methyl-2,6-dinitro-N-prop-2-enylanilino)-2-propanol IUPAC Name: 1-(4-methyl-2,6-dinitro-N-prop-2-enylanilino)propan-2-ol Traditional Name: 1-(N-allyl-4-methyl-2,6-dinitro-anilino)propan-2-ol Formula: C13H17N3O5 MolecularWeight: 295.29118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O5/c1-4-5-14(8-10(3)17)13-11(15(18)19)6-9(2)7-12(13)16(20)21/h4,6-7,10,17H,1,5,8H2,2-3H3