4-azanyl-7-[(5-methyl-2-nitro-phenyl)amino]hept-1-en-3-ol

Systemtic Name: 4-azanyl-7-[(5-methyl-2-nitro-phenyl)amino]hept-1-en-3-ol Openeye Name: 4-amino-7-(5-methyl-2-nitro-anilino)hept-1-en-3-ol CAS Name: 4-amino-7-(5-methyl-2-nitroanilino)-1-hepten-3-ol IUPAC Name: 4-amino-7-(5-methyl-2-nitroanilino)hept-1-en-3-ol Traditional Name: 4-amino-7-(5-methyl-2-nitro-anilino)hept-1-en-3-ol Formula: C14H21N3O3 MolecularWeight: 279.33484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O3/c1-3-14(18)11(15)5-4-8-16-12-9-10(2)6-7-13(12)17(19)20/h3,6-7,9,11,14,16,18H,1,4-5,8,15H2,2H3