(E)-1-azanyl-5-[(3-methyl-2-nitro-phenyl)amino]pent-3-en-1-ol

Systemtic Name: (E)-1-azanyl-5-[(3-methyl-2-nitro-phenyl)amino]pent-3-en-1-ol Openeye Name: (E)-1-amino-5-(3-methyl-2-nitro-anilino)pent-3-en-1-ol CAS Name: (E)-1-amino-5-(3-methyl-2-nitroanilino)-3-penten-1-ol IUPAC Name: (E)-1-amino-5-(3-methyl-2-nitroanilino)pent-3-en-1-ol Traditional Name: (E)-1-amino-5-(3-methyl-2-nitro-anilino)pent-3-en-1-ol Formula: C12H17N3O3 MolecularWeight: 251.28168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O3/c1-9-5-4-6-10(12(9)15(17)18)14-8-3-2-7-11(13)16/h2-6,11,14,16H,7-8,13H2,1H3/b3-2+