N-tert-butyl-1-(3-carboxy-4-methyl-7-propan-2-yl-azulen-1-yl)methanimine oxide; sodium

Systemtic Name: N-tert-butyl-1-(3-carboxy-4-methyl-7-propan-2-yl-azulen-1-yl)methanimine oxide; sodium Openeye Name: N-tert-butyl-1-(3-carboxy-7-isopropyl-4-methyl-azulen-1-yl)methanimine oxide; sodium CAS Name: N-tert-butyl-1-(3-carboxy-4-methyl-7-propan-2-yl-1-azulenyl)methanimine oxide; sodium IUPAC Name: N-tert-butyl-1-(3-carboxy-4-methyl-7-propan-2-ylazulen-1-yl)methanimine oxide; sodium Traditional Name: N-tert-butyl-1-(3-carboxy-7-isopropyl-4-methyl-azulen-1-yl)methanimine oxide; sodium Formula: C20H25NNaO3 MolecularWeight: 350.40717

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C=[N+](C(C)(C)C)[O-])C(=O)O.[Na]

Isomeric SMILES

CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)/C=[N+](\C(C)(C)C)/[O-])C(=O)O.[Na]

InChI

InChI=1S/C20H25NO3.Na/c1-12(2)14-8-7-13(3)18-16(9-14)15(10-17(18)19(22)23)11-21(24)20(4,5)6;/h7-12H,1-6H3,(H,22,23);/b21-11+;