[(Z)-[azanyl-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]methylidene]amino] 2-methylpropanoate

Systemtic Name: [(Z)-[azanyl-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]methylidene]amino] 2-methylpropanoate Openeye Name: [(Z)-[amino-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]methylene]amino] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [(Z)-[amino-[4-(4-tert-butylphenoxy)-3-nitrophenyl]methylidene]amino] ester IUPAC Name: [(Z)-[amino-[4-(4-tert-butylphenoxy)-3-nitrophenyl]methylidene]amino] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [(Z)-[amino-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]methylene]amino] ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)ON=C(C1=CC(=C(C=C1)OC2=CC=C(C=C2)C(C)(C)C)[N+](=O)[O-])N

Isomeric SMILES

CC(C)C(=O)O/N=C(/C1=CC(=C(C=C1)OC2=CC=C(C=C2)C(C)(C)C)[N+](=O)[O-])\N

InChI

InChI=1S/C21H25N3O5/c1-13(2)20(25)29-23-19(22)14-6-11-18(17(12-14)24(26)27)28-16-9-7-15(8-10-16)21(3,4)5/h6-13H,1-5H3,(H2,22,23)