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

Systemtic Name: N-tert-butyl-1-(3-ethoxycarbonyl-4-methyl-7-propan-2-yl-azulen-1-yl)methanimine oxide Openeye Name: N-tert-butyl-1-(3-ethoxycarbonyl-7-isopropyl-4-methyl-azulen-1-yl)methanimine oxide CAS Name: N-tert-butyl-1-(3-ethoxycarbonyl-4-methyl-7-propan-2-yl-1-azulenyl)methanimine oxide IUPAC Name: N-tert-butyl-1-(3-ethoxycarbonyl-4-methyl-7-propan-2-ylazulen-1-yl)methanimine oxide Traditional Name: N-tert-butyl-1-(3-carbethoxy-7-isopropyl-4-methyl-azulen-1-yl)methanimine oxide Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C2C1=C(C=CC(=C2)C(C)C)C)C=[N+](C(C)(C)C)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=C2C1=C(C=CC(=C2)C(C)C)C)/C=[N+](\C(C)(C)C)/[O-]

InChI

InChI=1S/C22H29NO3/c1-8-26-21(24)19-12-17(13-23(25)22(5,6)7)18-11-16(14(2)3)10-9-15(4)20(18)19/h9-14H,8H2,1-7H3/b23-13+